5-(1,2,2-trimethylcyclopentyl)pentan-1-ol

C13H26O — CID 67793892

IUPAC5-(1,2,2-trimethylcyclopentyl)pentan-1-ol
SMILESCC1(C)CCCC1(C)CCCCCO
InChIInChI=1S/C13H26O/c1-12(2)8-7-10-13(12,3)9-5-4-6-11-14/h14H,4-11H2,1-3H3
InChIKeyWXVJMLWHYGPDHU-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.76
Rot. Bonds5

About 5-(1,2,2-trimethylcyclopentyl)pentan-1-ol

5-(1,2,2-trimethylcyclopentyl)pentan-1-ol (PubChem CID 67793892) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 5-(1,2,2-trimethylcyclopentyl)pentan-1-ol.

Molecular Properties

Compound Name5-(1,2,2-trimethylcyclopentyl)pentan-1-ol
PubChem CID67793892
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name5-(1,2,2-trimethylcyclopentyl)pentan-1-ol
SMILESCC1(C)CCCC1(C)CCCCCO
InChIInChI=1S/C13H26O/c1-12(2)8-7-10-13(12,3)9-5-4-6-11-14/h14H,4-11H2,1-3H3
InChIKeyWXVJMLWHYGPDHU-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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-decyl-1,2,2-trimethylcyclooctane
CID 150686045
(1,2,2-trimethylcyclopentyl)methanol
CID 12003447
(1R)-1-butyl-1,2,2-trimethylcyclohexane
CID 160652291
4-(1-methylcyclopropyl)butan-1-ol
CID 170156502
3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol
CID 139787359
1-(6-hydroxyhexyl)cyclopentan-1-ol
CID 70524095
7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol
CID 137487836
2-(2-butyl-2-methyl-1-propylcyclopentyl)ethanol
CID 71153667
1-(4-hydroxybutyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428551
5-(3,3-dimethylazetidin-1-yl)pentan-1-ol
CID 107319640
2-methyl-4-(1,2,2-trimethylcyclopentyl)but-2-enal
CID 140878858
1-[1-[4-[6-(6-hydroxyhexoxy)hexoxy]butyl]cycloheptyl]cycloheptan-1-ol
CID 122513051

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,2-trimethylcyclopentyl)pentan-1-ol?
The IUPAC name of 5-(1,2,2-trimethylcyclopentyl)pentan-1-ol (CID 67793892) is 5-(1,2,2-trimethylcyclopentyl)pentan-1-ol.
What is the SMILES notation for 5-(1,2,2-trimethylcyclopentyl)pentan-1-ol?
The canonical SMILES for 5-(1,2,2-trimethylcyclopentyl)pentan-1-ol is CC1(C)CCCC1(C)CCCCCO.
What is the InChIKey of 5-(1,2,2-trimethylcyclopentyl)pentan-1-ol?
The InChIKey is WXVJMLWHYGPDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-12(2)8-7-10-13(12,3)9-5-4-6-11-14/h14H,4-11H2,1-3H3.
What are the key properties of 5-(1,2,2-trimethylcyclopentyl)pentan-1-ol?
5-(1,2,2-trimethylcyclopentyl)pentan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,2-trimethylcyclopentyl)pentan-1-ol is sourced from PubChem (CID 67793892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).