1,2,3-trimethylcyclopentan-1-ol

C8H16O — CID 23077337

IUPAC1,2,3-trimethylcyclopentan-1-ol
SMILESCC1CCC(C)(O)C1C
InChIInChI=1S/C8H16O/c1-6-4-5-8(3,9)7(6)2/h6-7,9H,4-5H2,1-3H3
InChIKeyXOCDXUTXEYCPLF-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.80
Rot. Bonds

About 1,2,3-trimethylcyclopentan-1-ol

1,2,3-trimethylcyclopentan-1-ol (PubChem CID 23077337) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 1,2,3-trimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1,2,3-trimethylcyclopentan-1-ol
PubChem CID23077337
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name1,2,3-trimethylcyclopentan-1-ol
SMILESCC1CCC(C)(O)C1C
InChIInChI=1S/C8H16O/c1-6-4-5-8(3,9)7(6)2/h6-7,9H,4-5H2,1-3H3
InChIKeyXOCDXUTXEYCPLF-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2,3-trimethylcyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone
CID 15747683
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
1,2-dimethyl-3-propan-2-ylcyclohexan-1-ol
CID 22561619
1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane
CID 91136006
5,6-dimethyloxane-2,5-diol
CID 20542587
formaldehyde;1,1,2,3-tetramethylcyclohexane
CID 175438935
(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclohexane-1-carbonitrile
CID 11686937
(1S,4R,4aR)-1,4,6-trimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 89094088
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
(1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol
CID 102437455
(1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol
CID 53244060

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylcyclopentan-1-ol?
The IUPAC name of 1,2,3-trimethylcyclopentan-1-ol (CID 23077337) is 1,2,3-trimethylcyclopentan-1-ol.
What is the SMILES notation for 1,2,3-trimethylcyclopentan-1-ol?
The canonical SMILES for 1,2,3-trimethylcyclopentan-1-ol is CC1CCC(C)(O)C1C.
What is the InChIKey of 1,2,3-trimethylcyclopentan-1-ol?
The InChIKey is XOCDXUTXEYCPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-6-4-5-8(3,9)7(6)2/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 1,2,3-trimethylcyclopentan-1-ol?
1,2,3-trimethylcyclopentan-1-ol has a molecular weight of 128.22 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylcyclopentan-1-ol is sourced from PubChem (CID 23077337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).