3-cyclohexyl-2-methylpentan-3-ol

C12H24O — CID 60921357

IUPAC3-cyclohexyl-2-methylpentan-3-ol
SMILESCCC(O)(C(C)C)C1CCCCC1
InChIInChI=1S/C12H24O/c1-4-12(13,10(2)3)11-8-6-5-7-9-11/h10-11,13H,4-9H2,1-3H3
InChIKeyBMXQKGPJGLRQRD-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds3

About 3-cyclohexyl-2-methylpentan-3-ol

3-cyclohexyl-2-methylpentan-3-ol (PubChem CID 60921357) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-cyclohexyl-2-methylpentan-3-ol.

Molecular Properties

Compound Name3-cyclohexyl-2-methylpentan-3-ol
PubChem CID60921357
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-cyclohexyl-2-methylpentan-3-ol
SMILESCCC(O)(C(C)C)C1CCCCC1
InChIInChI=1S/C12H24O/c1-4-12(13,10(2)3)11-8-6-5-7-9-11/h10-11,13H,4-9H2,1-3H3
InChIKeyBMXQKGPJGLRQRD-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-methylpentan-3-ol?
The IUPAC name of 3-cyclohexyl-2-methylpentan-3-ol (CID 60921357) is 3-cyclohexyl-2-methylpentan-3-ol.
What is the SMILES notation for 3-cyclohexyl-2-methylpentan-3-ol?
The canonical SMILES for 3-cyclohexyl-2-methylpentan-3-ol is CCC(O)(C(C)C)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-methylpentan-3-ol?
The InChIKey is BMXQKGPJGLRQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-12(13,10(2)3)11-8-6-5-7-9-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-cyclohexyl-2-methylpentan-3-ol?
3-cyclohexyl-2-methylpentan-3-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methylpentan-3-ol is sourced from PubChem (CID 60921357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).