[(1R,3S)-3-methylcyclopentyl]methanediol

C7H14O2 — CID 163440646

IUPAC[(1R,3S)-3-methylcyclopentyl]methanediol
SMILESC[C@H]1CC[C@@H](C(O)O)C1
InChIInChI=1S/C7H14O2/c1-5-2-3-6(4-5)7(8)9/h5-9H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyAYFYHKDGWGKJAJ-NTSWFWBYSA-N
MW130.19 g/mol
LogP0.73
Rot. Bonds1

About [(1R,3S)-3-methylcyclopentyl]methanediol

[(1R,3S)-3-methylcyclopentyl]methanediol (PubChem CID 163440646) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is [(1R,3S)-3-methylcyclopentyl]methanediol.

Molecular Properties

Compound Name[(1R,3S)-3-methylcyclopentyl]methanediol
PubChem CID163440646
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name[(1R,3S)-3-methylcyclopentyl]methanediol
SMILESC[C@H]1CC[C@@H](C(O)O)C1
InChIInChI=1S/C7H14O2/c1-5-2-3-6(4-5)7(8)9/h5-9H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyAYFYHKDGWGKJAJ-NTSWFWBYSA-N
XLogP0.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(1R,3S)-3-methylcyclopentyl]methanediol 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-methylcyclopentyl)ethanol
CID 12501270
(3,5-dimethylcyclohexyl)-(3-methylcyclopentyl)methanol
CID 65402149
1-(3-methylcyclopentyl)propan-1-ol
CID 65400346
2-(3-methylcyclopentyl)propan-1-ol
CID 14039414
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclobutan-1-ol
CID 158535526
5-methyl-1-(3-methylcyclopentyl)hexan-1-ol
CID 83161755
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
amino-(4-methylcyclohexyl)methanol
CID 89201512
[(1S,3S)-3-aminocyclopentyl]methanediol
CID 156547371
N-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine
CID 90905067

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-methylcyclopentyl]methanediol?
The IUPAC name of [(1R,3S)-3-methylcyclopentyl]methanediol (CID 163440646) is [(1R,3S)-3-methylcyclopentyl]methanediol.
What is the SMILES notation for [(1R,3S)-3-methylcyclopentyl]methanediol?
The canonical SMILES for [(1R,3S)-3-methylcyclopentyl]methanediol is C[C@H]1CC[C@@H](C(O)O)C1.
What is the InChIKey of [(1R,3S)-3-methylcyclopentyl]methanediol?
The InChIKey is AYFYHKDGWGKJAJ-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H14O2/c1-5-2-3-6(4-5)7(8)9/h5-9H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of [(1R,3S)-3-methylcyclopentyl]methanediol?
[(1R,3S)-3-methylcyclopentyl]methanediol has a molecular weight of 130.19 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-methylcyclopentyl]methanediol is sourced from PubChem (CID 163440646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).