2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol

C15H26O3 — CID 173243699

IUPAC2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol
SMILESCCC(O)C1CCC(C)(O)C1C=CC(C)=CCO
InChIInChI=1S/C15H26O3/c1-4-14(17)12-7-9-15(3,18)13(12)6-5-11(2)8-10-16/h5-6,8,12-14,16-18H,4,7,9-10H2,1-3H3
InChIKeyLYQIOUQVAUZAMM-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.03
Rot. Bonds5

About 2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol

2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol (PubChem CID 173243699) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol
PubChem CID173243699
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol
SMILESCCC(O)C1CCC(C)(O)C1C=CC(C)=CCO
InChIInChI=1S/C15H26O3/c1-4-14(17)12-7-9-15(3,18)13(12)6-5-11(2)8-10-16/h5-6,8,12-14,16-18H,4,7,9-10H2,1-3H3
InChIKeyLYQIOUQVAUZAMM-UHFFFAOYSA-N
XLogP2.03
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-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

(2E,4E)-5-[(4aS,5R)-1,4a-dimethyl-1,2,3,4,5,6,7,8,9,9a-decahydrobenzo[7]annulen-5-yl]-3-methylpenta-2,4-dien-1-ol
CID 142805273
(1R,2R,3R)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3-(2-hydroxypropan-2-yl)-1-methylcyclopentan-1-ol
CID 11146214
(1R,2S,3S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3-(2-methoxypropan-2-yl)-1-methylcyclopentan-1-ol
CID 101271990
(2E,4E,6E,8E,10E,12E)-13-[(1R,2S)-2-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylcyclopentyl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal
CID 102366842
2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3-(2-hydroxypropan-2-yl)-1-methylcyclopentan-1-ol;molecular iodine
CID 159616413
(1R,2R,4aR,8aS)-2,5,5,8a-tetramethyl-1-[(1E,3E)-3-methylpenta-1,3-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 162910498
(1S,2S,4aS,5R,8aR)-5-(hydroxymethyl)-1-[(Z)-5-hydroxy-3-methylpent-3-enyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 38346506
(1S,2R,4aS,6S,8aS)-6-bromo-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 162908153
3,7-dimethyl-9-(2,2,6-trimethylcyclohexylidene)nona-2,4,6-triene-1,8-diol
CID 173441738
1-(2-bicyclo[2.2.2]octanyl)propan-1-ol
CID 130126580
1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
CID 118721178
(1S,2S,4aR,8aR)-1-[(Z)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 38346537

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol?
The IUPAC name of 2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol (CID 173243699) is 2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol.
What is the SMILES notation for 2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol?
The canonical SMILES for 2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol is CCC(O)C1CCC(C)(O)C1C=CC(C)=CCO.
What is the InChIKey of 2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol?
The InChIKey is LYQIOUQVAUZAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-14(17)12-7-9-15(3,18)13(12)6-5-11(2)8-10-16/h5-6,8,12-14,16-18H,4,7,9-10H2,1-3H3.
What are the key properties of 2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol?
2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-3-methylpenta-1,3-dienyl)-3-(1-hydroxypropyl)-1-methylcyclopentan-1-ol is sourced from PubChem (CID 173243699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).