[3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol

C12H18O — CID 164603543

IUPAC[3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol
SMILESC=C/C=C\C1=C(C)CC(CO)C1C
InChIInChI=1S/C12H18O/c1-4-5-6-12-9(2)7-11(8-13)10(12)3/h4-6,10-11,13H,1,7-8H2,2-3H3/b6-5-
InChIKeyXBRDPINUOSGOSH-WAYWQWQTSA-N
MW178.28 g/mol
LogP2.69
Rot. Bonds3

About [3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol

[3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol (PubChem CID 164603543) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is [3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol.

Molecular Properties

Compound Name[3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol
PubChem CID164603543
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name[3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol
SMILESC=C/C=C\C1=C(C)CC(CO)C1C
InChIInChI=1S/C12H18O/c1-4-5-6-12-9(2)7-11(8-13)10(12)3/h4-6,10-11,13H,1,7-8H2,2-3H3/b6-5-
InChIKeyXBRDPINUOSGOSH-WAYWQWQTSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol 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

[(1S,2S,4R)-2-[(1E,3E)-hexa-1,3,5-trienyl]-4-methylcyclohexyl]methanol
CID 53253679
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,3-dihydropyrrol-2-one
CID 146312753
[(1S,2S)-2-ethenylcyclopropyl]methanol
CID 10011846
(4-methyloxolan-3-yl)methanol
CID 53402099
[(3R,4S)-4-methyloxolan-3-yl]methanol
CID 95165244
[2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol
CID 5368931
5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydro-1H-pyrrole;ethane
CID 145474616
1-buta-1,3-dienyl-2-methylcycloocta-1,5-diene
CID 173320452
3-[(1Z)-buta-1,3-dienyl]-2-methyl-3a,4,5,6,7,7a-hexahydroinden-1-one
CID 167170644
N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide
CID 143584516
[(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol
CID 130610025

Frequently Asked Questions

What is the IUPAC name of [3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol?
The IUPAC name of [3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol (CID 164603543) is [3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol.
What is the SMILES notation for [3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol?
The canonical SMILES for [3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol is C=C/C=C\C1=C(C)CC(CO)C1C.
What is the InChIKey of [3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol?
The InChIKey is XBRDPINUOSGOSH-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H18O/c1-4-5-6-12-9(2)7-11(8-13)10(12)3/h4-6,10-11,13H,1,7-8H2,2-3H3/b6-5-.
What are the key properties of [3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol?
[3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol has a molecular weight of 178.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol is sourced from PubChem (CID 164603543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).