CAS
93980-68-8 Purity
96%
93980-68-8 Purity
96%
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Alpha,beta,2,6,6-pentamethylcyclohex-2-ene-1-propan-1-ol
CAS
93980-72-4
Catalog Number
ACM93980724
Category
Other Products
Molecular Weight
210.355640 [g/mol]
Molecular Formula
C14H26O
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Specification
Synonyms
EINECS 301-051-4, alpha,beta,2,6,6-Pentamethylcyclohex-2-ene-1-propan-1-ol, 93980-72-4
IUPAC Name
3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol
Canonical SMILES
CC1=CCCC(C1CC(C)C(C)O)(C)C
InChI Key
AXHHYECTTZUORY-UHFFFAOYSA-N
Boiling Point
277.4ºC at 760mmHg
Flash Point
95.9ºC
Density
0.871g/cm³
EC Number
301-051-4
Exact Mass
210.19800
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 25076551?
The molecular formula is C14H26O.
What are the synonyms of the compound with PubChem CID 25076551?
The synonyms include alpha,beta,2,6,6-Pentamethylcyclohex-2-ene-1-propan-1-ol and 3-Methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol.
When was the compound with PubChem CID 25076551 created?
It was created on December 10, 2008.
What is the molecular weight of the compound with PubChem CID 25076551?
The molecular weight is 210.36 g/mol.
What is the InChI of the compound with PubChem CID 25076551?
The InChI is InChI=1S/C14H26O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,11-13,15H,6,8-9H2,1-5H3.
What is the Canonical SMILES of the compound with PubChem CID 25076551?
The Canonical SMILES is CC1=CCCC(C1CC(C)C(C)O)(C)C.
How many hydrogen bond donor counts does the compound with PubChem CID 25076551 have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound with PubChem CID 25076551?
The topological polar surface area is 20.2?2.
How many rotatable bond counts does the compound with PubChem CID 25076551 have?
It has 3 rotatable bond counts.
Is the compound with PubChem CID 25076551 canonicalized?
Yes, the compound is canonicalized.
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