CAS
94200-24-5 Purity
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94200-24-5 Purity
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Beta,delta,2,2,3-pentamethylcyclopent-3-ene-1-hexanol
CAS
94200-28-9
Catalog Number
ACM94200289
Category
Other Products
Molecular Weight
238.4088
Molecular Formula
C16H30O
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Specification
Synonyms
EINECS 303-504-1, beta,delta,2,2,3-Pentamethylcyclopent-3-ene-1-hexanol, 94200-28-9
IUPAC Name
2,4-dimethyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-1-ol
Canonical SMILES
CC1=CCC(C1(C)C)CCC(C)CC(C)CO
InChI Key
OEEATFVPGMIOBV-UHFFFAOYSA-N
Boiling Point
310.7ºC at 760mmHg
Flash Point
103.4ºC
Density
0.872g/cm³
EC Number
303-504-1
Exact Mass
238.23000
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 44153824?
The molecular formula is C16H30O.
What is the molecular weight of the compound?
The molecular weight is 238.41 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2,4-dimethyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-1-ol.
What is the InChI of the compound?
The InChI is InChI=1S/C16H30O/c1-12(10-13(2)11-17)6-8-15-9-7-14(3)16(15,4)5/h7,12-13,15,17H,6,8-11H2,1-5H3.
What is the InChIKey of the compound?
The InChIKey is OEEATFVPGMIOBV-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC1=CCC(C1(C)C)CCC(C)CC(C)CO.
What is the CAS number of the compound?
The CAS number is 94200-28-9.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.8.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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![Bis[p-(1-phenylethyl)phenyl]hydrogen phosphate](https://resource.alfa-chemistry.com/structure/94200-29-0.gif)
![Bis[o-(1-phenylethyl)phenyl]hydrogen phosphate](https://resource.alfa-chemistry.com/structure/94200-30-3.gif)
