CAS
93859-09-7 Purity
96%
93859-09-7 Purity
96%
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2,2-Dimethylpentane-1,5-diyl diisocyanate
CAS
93859-12-2
Catalog Number
ACM93859122
Category
Other Products
Molecular Weight
182.219660 [g/mol]
Molecular Formula
C9H14N2O2
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Specification
Synonyms
EINECS 299-348-6, 2,2-Dimethylpentane-1,5-diyl diisocyanate, 93859-12-2
IUPAC Name
1,5-diisocyanato-2,2-dimethylpentane
SMILES
CC(C)(CCCN=C=O)CN=C=O
InChI Key
OUJCKESIGPLCRN-UHFFFAOYSA-N
Boiling Point
253.8ºC at 760mmHg
Flash Point
100.7ºC
Density
0.98g/cm³
EC Number
299-348-6
Exact Mass
182.10600
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 2,2-Dimethylpentane-1,5-diyl diisocyanate?
The molecular formula is C9H14N2O2.
What is the IUPAC name of 2,2-Dimethylpentane-1,5-diyl diisocyanate?
The IUPAC name is 1,5-diisocyanato-2,2-dimethylpentane.
What is the InChI of 2,2-Dimethylpentane-1,5-diyl diisocyanate?
The InChI is InChI=1S/C9H14N2O2/c1-9(2,6-11-8-13)4-3-5-10-7-12/h3-6H2,1-2H3.
What is the InChIKey of 2,2-Dimethylpentane-1,5-diyl diisocyanate?
The InChIKey is OUJCKESIGPLCRN-UHFFFAOYSA-N.
What is the Canonical SMILES of 2,2-Dimethylpentane-1,5-diyl diisocyanate?
The Canonical SMILES is CC(C)(CCCN=C=O)CN=C=O.
How much is the molecular weight of 2,2-Dimethylpentane-1,5-diyl diisocyanate?
The molecular weight is 182.22 g/mol.
What is the XLogP3-AA value of 2,2-Dimethylpentane-1,5-diyl diisocyanate?
The XLogP3-AA value is 3.7.
How many hydrogen bond donor counts does 2,2-Dimethylpentane-1,5-diyl diisocyanate have?
It has 0 hydrogen bond donor counts.
How many rotatable bond counts does 2,2-Dimethylpentane-1,5-diyl diisocyanate have?
It has 6 rotatable bond counts.
Is 2,2-Dimethylpentane-1,5-diyl diisocyanate a canonicalized compound?
Yes, the compound is canonicalized.
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