1-(1-methylcyclopentyl)heptan-1-ol

C13H26O — CID 115783527

IUPAC1-(1-methylcyclopentyl)heptan-1-ol
SMILESCCCCCCC(O)C1(C)CCCC1
InChIInChI=1S/C13H26O/c1-3-4-5-6-9-12(14)13(2)10-7-8-11-13/h12,14H,3-11H2,1-2H3
InChIKeyNLLIZANBNXQPSK-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.90
Rot. Bonds6

About 1-(1-methylcyclopentyl)heptan-1-ol

1-(1-methylcyclopentyl)heptan-1-ol (PubChem CID 115783527) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)heptan-1-ol.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)heptan-1-ol
PubChem CID115783527
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-(1-methylcyclopentyl)heptan-1-ol
SMILESCCCCCCC(O)C1(C)CCCC1
InChIInChI=1S/C13H26O/c1-3-4-5-6-9-12(14)13(2)10-7-8-11-13/h12,14H,3-11H2,1-2H3
InChIKeyNLLIZANBNXQPSK-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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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)heptan-1-ol?
The IUPAC name of 1-(1-methylcyclopentyl)heptan-1-ol (CID 115783527) is 1-(1-methylcyclopentyl)heptan-1-ol.
What is the SMILES notation for 1-(1-methylcyclopentyl)heptan-1-ol?
The canonical SMILES for 1-(1-methylcyclopentyl)heptan-1-ol is CCCCCCC(O)C1(C)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)heptan-1-ol?
The InChIKey is NLLIZANBNXQPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-4-5-6-9-12(14)13(2)10-7-8-11-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-(1-methylcyclopentyl)heptan-1-ol?
1-(1-methylcyclopentyl)heptan-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 1-(1-methylcyclopentyl)heptan-1-ol is sourced from PubChem (CID 115783527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).