CAS
94279-01-3 Purity
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94279-01-3 Purity
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2-Isobutoxycyclohexan-1-ol
CAS
94279-04-6
Catalog Number
ACM94279046
Category
Other Products
Molecular Weight
172.264600 [g/mol]
Molecular Formula
C10H20O2
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Specification
Synonyms
2-Isobutoxycyclohexan-1-ol, EINECS 304-749-7, CID3024260, 94279-04-6
IUPAC Name
2-(2-methylpropoxy)cyclohexan-1-ol
SMILES
CC(C)COC1CCCCC1O
InChI Key
QYNMQOJKJIUWRX-UHFFFAOYSA-N
Boiling Point
233.8ºC at 760 mmHg
Flash Point
81.4ºC
Density
0.95g/cm³
EC Number
304-749-7
Exact Mass
172.14600
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 2-Isobutoxycyclohexan-1-ol?
The molecular formula of 2-Isobutoxycyclohexan-1-ol is C10H20O2.
When was 2-Isobutoxycyclohexan-1-ol created and modified in PubChem?
It was created on August 8, 2005, and modified on December 30, 2023.
What is the IUPAC name of 2-Isobutoxycyclohexan-1-ol?
The IUPAC name is 2-(2-methylpropoxy)cyclohexan-1-ol.
What is the InChIKey of 2-Isobutoxycyclohexan-1-ol?
The InChIKey is QYNMQOJKJIUWRX-UHFFFAOYSA-N.
What is the Canonical SMILES representation of 2-Isobutoxycyclohexan-1-ol?
The Canonical SMILES is CC(C)COC1CCCCC1O.
What is the molecular weight of 2-Isobutoxycyclohexan-1-ol?
The molecular weight is 172.26 g/mol.
How many hydrogen bond donor counts are there in 2-Isobutoxycyclohexan-1-ol?
There is one hydrogen bond donor count.
What is the topological polar surface area of 2-Isobutoxycyclohexan-1-ol?
The topological polar surface area is 29.5 Å2.
How many defined atom stereocenter counts are there in 2-Isobutoxycyclohexan-1-ol?
There are no defined atom stereocenter counts.
Is 2-Isobutoxycyclohexan-1-ol considered canonicalized in PubChem?
Yes, it is considered canonicalized.
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