CAS
93918-95-7 Purity
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93918-95-7 Purity
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Hexadecyl 16-methylheptadecanoate
CAS
93919-02-9
Catalog Number
ACM93919029
Category
Other Products
Molecular Weight
508.902520 [g/mol]
Molecular Formula
C34H68O2
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Specification
Synonyms
Hexadecyl isooctadecanoate, Hexadecyl 16-methylheptadecanoate, EINECS 273-858-9, EINECS 299-984-4, CID216234, 69086-01-7, 93919-02-9
IUPAC Name
hexadecyl 16-methylheptadecanoate
Canonical SMILES
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C
InChI Key
FBQVFXLUGAFMIO-UHFFFAOYSA-N
Boiling Point
522.4±18.0 °C (760 mmHg)
Density
0.857±0.06 g/cm³ (20 °C, 760 mmHg)
EC Number
273-858-9
Exact Mass
508.52200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Hexadecyl 16-methylheptadecanoate?
The molecular formula of Hexadecyl 16-methylheptadecanoate is C34H68O2.
When was Hexadecyl 16-methylheptadecanoate created and last modified in PubChem?
Hexadecyl 16-methylheptadecanoate was created in 2005-08-09 and last modified on 2023-12-30.
What is the IUPAC name of Hexadecyl 16-methylheptadecanoate?
The IUPAC name of Hexadecyl 16-methylheptadecanoate is hexadecyl 16-methylheptadecanoate.
What is the Canonical SMILES representation of Hexadecyl 16-methylheptadecanoate?
The Canonical SMILES representation of Hexadecyl 16-methylheptadecanoate is CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C.
What is the molecular weight of Hexadecyl 16-methylheptadecanoate?
The molecular weight of Hexadecyl 16-methylheptadecanoate is 508.9 g/mol.
What is the InChIKey of Hexadecyl 16-methylheptadecanoate?
The InChIKey of Hexadecyl 16-methylheptadecanoate is FBQVFXLUGAFMIO-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in Hexadecyl 16-methylheptadecanoate?
There are 0 hydrogen bond donor counts in Hexadecyl 16-methylheptadecanoate.
What is the XLogP3-AA value of Hexadecyl 16-methylheptadecanoate?
The XLogP3-AA value of Hexadecyl 16-methylheptadecanoate is 16.
How many rotatable bond counts are there in Hexadecyl 16-methylheptadecanoate?
There are 31 rotatable bond counts in Hexadecyl 16-methylheptadecanoate.
Is Hexadecyl 16-methylheptadecanoate a canonicalized compound?
Yes, Hexadecyl 16-methylheptadecanoate is a canonicalized compound.
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CAS
93918-96-8 Purity
96%
93918-96-8 Purity
96%
