CAS
93840-80-3 Purity
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93840-80-3 Purity
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Dihydro-5-[2-(4-methyl-3-cyclohexen-1-yl)propyl]furan-2(3H)-one
CAS
93840-87-0
Catalog Number
ACM93840870
Category
Other Products
Molecular Weight
222.323280 [g/mol]
Molecular Formula
C14H22O2
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Specification
Synonyms
EINECS 298-954-8, CID3022585, Dihydro-5-(2-(4-methyl-3-cyclohexen-1-yl)propyl)furan-2(3H)-one, 93840-87-0
IUPAC Name
5-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolan-2-one
SMILES
CC1=CCC(CC1)C(C)CC2CCC(=O)O2
InChI Key
QHJBCNKYSABBGA-UHFFFAOYSA-N
Boiling Point
349.3ºC at 760mmHg
Flash Point
145.5ºC
Density
1g/cm³
EC Number
298-954-8
Exact Mass
222.16200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Dihydro-5-[2-(4-methyl-3-cyclohexen-1-yl)propyl]furan-2(3H)-one?
The molecular formula is C14H22O2.
What is the molecular weight of Dihydro-5-[2-(4-methyl-3-cyclohexen-1-yl)propyl]furan-2(3H)-one?
The molecular weight is 222.32 g/mol.
What is the IUPAC name of Dihydro-5-[2-(4-methyl-3-cyclohexen-1-yl)propyl]furan-2(3H)-one?
The IUPAC name is 5-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolan-2-one.
What is the Canonical SMILES of Dihydro-5-[2-(4-methyl-3-cyclohexen-1-yl)propyl]furan-2(3H)-one?
The Canonical SMILES is CC1=CCC(CC1)C(C)CC2CCC(=O)O2.
What is the InChIKey of Dihydro-5-[2-(4-methyl-3-cyclohexen-1-yl)propyl]furan-2(3H)-one?
The InChIKey is QHJBCNKYSABBGA-UHFFFAOYSA-N.
How many Hydrogen Bond Donor Count does Dihydro-5-[2-(4-methyl-3-cyclohexen-1-yl)propyl]furan-2(3H)-one have?
It has 0 Hydrogen Bond Donor Count.
What is the XLogP3-AA value of Dihydro-5-[2-(4-methyl-3-cyclohexen-1-yl)propyl]furan-2(3H)-one?
The XLogP3-AA value is 3.3.
What is the Heavy Atom Count of Dihydro-5-[2-(4-methyl-3-cyclohexen-1-yl)propyl]furan-2(3H)-one?
The Heavy Atom Count is 16.
Does Dihydro-5-[2-(4-methyl-3-cyclohexen-1-yl)propyl]furan-2(3H)-one have any Defined Atom Stereocenter Count?
It has 0 Defined Atom Stereocenter Count.
Is Dihydro-5-[2-(4-methyl-3-cyclohexen-1-yl)propyl]furan-2(3H)-one a canonicalized compound?
Yes, it is canonicalized.
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