5-cyclohexylheptan-2-ol

C13H26O — CID 89364025

IUPAC5-cyclohexylheptan-2-ol
SMILESCCC(CCC(C)O)C1CCCCC1
InChIInChI=1S/C13H26O/c1-3-12(10-9-11(2)14)13-7-5-4-6-8-13/h11-14H,3-10H2,1-2H3
InChIKeyKETBFOSOIRHCSP-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.75
Rot. Bonds5

About 5-cyclohexylheptan-2-ol

5-cyclohexylheptan-2-ol (PubChem CID 89364025) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 5-cyclohexylheptan-2-ol.

Molecular Properties

Compound Name5-cyclohexylheptan-2-ol
PubChem CID89364025
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name5-cyclohexylheptan-2-ol
SMILESCCC(CCC(C)O)C1CCCCC1
InChIInChI=1S/C13H26O/c1-3-12(10-9-11(2)14)13-7-5-4-6-8-13/h11-14H,3-10H2,1-2H3
InChIKeyKETBFOSOIRHCSP-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylheptan-2-ol?
The IUPAC name of 5-cyclohexylheptan-2-ol (CID 89364025) is 5-cyclohexylheptan-2-ol.
What is the SMILES notation for 5-cyclohexylheptan-2-ol?
The canonical SMILES for 5-cyclohexylheptan-2-ol is CCC(CCC(C)O)C1CCCCC1.
What is the InChIKey of 5-cyclohexylheptan-2-ol?
The InChIKey is KETBFOSOIRHCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-12(10-9-11(2)14)13-7-5-4-6-8-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 5-cyclohexylheptan-2-ol?
5-cyclohexylheptan-2-ol has a molecular weight of 198.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylheptan-2-ol is sourced from PubChem (CID 89364025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).