3-heptylcyclohexan-1-ol

C13H26O — CID 64515801

IUPAC3-heptylcyclohexan-1-ol
SMILESCCCCCCCC1CCCC(O)C1
InChIInChI=1S/C13H26O/c1-2-3-4-5-6-8-12-9-7-10-13(14)11-12/h12-14H,2-11H2,1H3
InChIKeyNJMBEJVHQOCAKL-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.90
Rot. Bonds6

About 3-heptylcyclohexan-1-ol

3-heptylcyclohexan-1-ol (PubChem CID 64515801) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-heptylcyclohexan-1-ol.

Molecular Properties

Compound Name3-heptylcyclohexan-1-ol
PubChem CID64515801
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name3-heptylcyclohexan-1-ol
SMILESCCCCCCCC1CCCC(O)C1
InChIInChI=1S/C13H26O/c1-2-3-4-5-6-8-12-9-7-10-13(14)11-12/h12-14H,2-11H2,1H3
InChIKeyNJMBEJVHQOCAKL-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-tridecylcyclopentan-1-ol
CID 67606099
1,3-diheptylcyclohexane
CID 19973333
1,3-dipentylcyclohexane
CID 54105663
3-(6-methylheptyl)cyclohexan-1-ol
CID 177308556
1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
cis-(1S,3R)-1-ethoxy-3-pentylcyclohexane
CID 101096763
6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 139846520
3-hexylcyclohexane-1-carboxylic acid
CID 66817282
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
tetradecylcyclododecane
CID 169026037

Frequently Asked Questions

What is the IUPAC name of 3-heptylcyclohexan-1-ol?
The IUPAC name of 3-heptylcyclohexan-1-ol (CID 64515801) is 3-heptylcyclohexan-1-ol.
What is the SMILES notation for 3-heptylcyclohexan-1-ol?
The canonical SMILES for 3-heptylcyclohexan-1-ol is CCCCCCCC1CCCC(O)C1.
What is the InChIKey of 3-heptylcyclohexan-1-ol?
The InChIKey is NJMBEJVHQOCAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-2-3-4-5-6-8-12-9-7-10-13(14)11-12/h12-14H,2-11H2,1H3.
What are the key properties of 3-heptylcyclohexan-1-ol?
3-heptylcyclohexan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptylcyclohexan-1-ol is sourced from PubChem (CID 64515801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).