(1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol

C12H20O — CID 130918738

IUPAC(1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol
SMILESC=C[C@@H]1CC[C@H](C=C)C1(C)[C@H](C)O
InChIInChI=1S/C12H20O/c1-5-10-7-8-11(6-2)12(10,4)9(3)13/h5-6,9-11,13H,1-2,7-8H2,3-4H3/t9-,10-,11+,12?/m0/s1
InChIKeyWCSNQXFVKDXOHY-WSMDXJOWSA-N
MW180.29 g/mol
LogP2.77
Rot. Bonds3

About (1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol

(1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol (PubChem CID 130918738) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol
PubChem CID130918738
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol
SMILESC=C[C@@H]1CC[C@H](C=C)C1(C)[C@H](C)O
InChIInChI=1S/C12H20O/c1-5-10-7-8-11(6-2)12(10,4)9(3)13/h5-6,9-11,13H,1-2,7-8H2,3-4H3/t9-,10-,11+,12?/m0/s1
InChIKeyWCSNQXFVKDXOHY-WSMDXJOWSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol?
The IUPAC name of (1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol (CID 130918738) is (1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol.
What is the SMILES notation for (1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol?
The canonical SMILES for (1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol is C=C[C@@H]1CC[C@H](C=C)C1(C)[C@H](C)O.
What is the InChIKey of (1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol?
The InChIKey is WCSNQXFVKDXOHY-WSMDXJOWSA-N. The full InChI is InChI=1S/C12H20O/c1-5-10-7-8-11(6-2)12(10,4)9(3)13/h5-6,9-11,13H,1-2,7-8H2,3-4H3/t9-,10-,11+,12?/m0/s1.
What are the key properties of (1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol?
(1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol has a molecular weight of 180.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]ethanol is sourced from PubChem (CID 130918738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).