1-(2-methylcyclopentyl)heptan-1-ol

C13H26O — CID 15118791

IUPAC1-(2-methylcyclopentyl)heptan-1-ol
SMILESCCCCCCC(O)C1CCCC1C
InChIInChI=1S/C13H26O/c1-3-4-5-6-10-13(14)12-9-7-8-11(12)2/h11-14H,3-10H2,1-2H3
InChIKeyTVERYKCEJIUTIR-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.75
Rot. Bonds6

About 1-(2-methylcyclopentyl)heptan-1-ol

1-(2-methylcyclopentyl)heptan-1-ol (PubChem CID 15118791) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)heptan-1-ol.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)heptan-1-ol
PubChem CID15118791
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-(2-methylcyclopentyl)heptan-1-ol
SMILESCCCCCCC(O)C1CCCC1C
InChIInChI=1S/C13H26O/c1-3-4-5-6-10-13(14)12-9-7-8-11(12)2/h11-14H,3-10H2,1-2H3
InChIKeyTVERYKCEJIUTIR-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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

1-[(1R,2R)-2-methylcyclopentyl]pentan-1-ol
CID 102037625
(1S)-1-(2-methylcyclopentyl)butan-1-ol
CID 127004316
1-(2-methylcyclopentyl)heptan-1-amine
CID 107188178
1-(2-methylcyclopentyl)heptylhydrazine
CID 107193564
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltetradecan-1-ol
CID 63461268
1-(2-methylcyclohexyl)ethane-1,2-diol
CID 57009721
1-cyclopropyltridecan-1-ol
CID 63410999
1-(2-methyloxolan-3-yl)heptan-1-ol
CID 115783418
1-cyclooctylundecan-1-ol
CID 80603651
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol
CID 115789193

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentyl)heptan-1-ol?
The IUPAC name of 1-(2-methylcyclopentyl)heptan-1-ol (CID 15118791) is 1-(2-methylcyclopentyl)heptan-1-ol.
What is the SMILES notation for 1-(2-methylcyclopentyl)heptan-1-ol?
The canonical SMILES for 1-(2-methylcyclopentyl)heptan-1-ol is CCCCCCC(O)C1CCCC1C.
What is the InChIKey of 1-(2-methylcyclopentyl)heptan-1-ol?
The InChIKey is TVERYKCEJIUTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-4-5-6-10-13(14)12-9-7-8-11(12)2/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylcyclopentyl)heptan-1-ol?
1-(2-methylcyclopentyl)heptan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)heptan-1-ol is sourced from PubChem (CID 15118791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).