4-cycloheptyl-4-methylpentan-2-ol

C13H26O — CID 82923694

IUPAC4-cycloheptyl-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)C1CCCCCC1
InChIInChI=1S/C13H26O/c1-11(14)10-13(2,3)12-8-6-4-5-7-9-12/h11-12,14H,4-10H2,1-3H3
InChIKeyTXWKQORXUMMNDC-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.75
Rot. Bonds3

About 4-cycloheptyl-4-methylpentan-2-ol

4-cycloheptyl-4-methylpentan-2-ol (PubChem CID 82923694) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-cycloheptyl-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-cycloheptyl-4-methylpentan-2-ol
PubChem CID82923694
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name4-cycloheptyl-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)C1CCCCCC1
InChIInChI=1S/C13H26O/c1-11(14)10-13(2,3)12-8-6-4-5-7-9-12/h11-12,14H,4-10H2,1-3H3
InChIKeyTXWKQORXUMMNDC-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cycloheptyl-2-methylpropan-1-ol
CID 82936558
2-cycloheptyl-2-methylpropan-1-amine
CID 82934909
CID 100913906
CID 100913906
2-cyclohexyl-2-methylpropan-1-amine
CID 19776368
4-amino-6-cyclopentyl-6-methylheptan-3-one
CID 142123412
2,6,10-trimethylundecan-2-ylcyclohexane
CID 140656287
ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane
CID 54153860
3-cyclohexyl-1-cyclopentylbutane-1,3-diol
CID 57289443
2,4,4-trimethylpentan-2-ylcyclopentane
CID 90828490
2,3,4-trimethylpentan-3-ylcyclohexane
CID 140706198
3-cyclohexyl-2,3-dimethylbutanoic acid
CID 83699558
(4-cyclopropyl-2-methylpentan-2-yl)cyclopropane
CID 90927036

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-4-methylpentan-2-ol?
The IUPAC name of 4-cycloheptyl-4-methylpentan-2-ol (CID 82923694) is 4-cycloheptyl-4-methylpentan-2-ol.
What is the SMILES notation for 4-cycloheptyl-4-methylpentan-2-ol?
The canonical SMILES for 4-cycloheptyl-4-methylpentan-2-ol is CC(O)CC(C)(C)C1CCCCCC1.
What is the InChIKey of 4-cycloheptyl-4-methylpentan-2-ol?
The InChIKey is TXWKQORXUMMNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-11(14)10-13(2,3)12-8-6-4-5-7-9-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 4-cycloheptyl-4-methylpentan-2-ol?
4-cycloheptyl-4-methylpentan-2-ol has a molecular weight of 198.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-4-methylpentan-2-ol is sourced from PubChem (CID 82923694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).