cis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol

C19H32O — CID 10492746

IUPACcis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol
SMILESCCCCCCC/C=C/C=C(C)/C=C/[C@H]1CCC[C@@H]1O
InChIInChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-12-17(2)15-16-18-13-11-14-19(18)20/h9-10,12,15-16,18-20H,3-8,11,13-14H2,1-2H3/b10-9+,16-15+,17-12+/t18-,19+/m1/s1
InChIKeyYJHUFZFNOANBOW-PUSFFKQZSA-N
MW276.46 g/mol
LogP5.57
Rot. Bonds9

About cis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol

cis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol (PubChem CID 10492746) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol
PubChem CID10492746
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Namecis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol
SMILESCCCCCCC/C=C/C=C(C)/C=C/[C@H]1CCC[C@@H]1O
InChIInChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-12-17(2)15-16-18-13-11-14-19(18)20/h9-10,12,15-16,18-20H,3-8,11,13-14H2,1-2H3/b10-9+,16-15+,17-12+/t18-,19+/m1/s1
InChIKeyYJHUFZFNOANBOW-PUSFFKQZSA-N
XLogP5.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol with MolForge

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Related Compounds

Cyclopentanol, 2-(2-hexen-1-yl)-
CID 6438069
rac-(1R,2S)-2-(prop-1-en-1-yl)cyclopentan-1-ol
CID 131239902
(1R,2R)-2-butylcyclopent-3-en-1-ol
CID 11320979
2,6,11,15-Tetramethylhexadeca-2,10,14-trien-8-ol
CID 54145997
Cyclopentanol, 2-(2-hexenyl)-
CID 118177
[(4S,7Z,8Z)-1-[(2R,3S,5R)-3,5-dihydroxy-2-[(2Z)-octa-2,7-dienyl]cyclopentyl]-7-ethylidenedeca-1,8-dien-4-yl] hypofluorite
CID 145298433
(8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol
CID 87161693
(1S)-4-[(E)-3,7-dimethyloct-1-enyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 165416404
(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-ol
CID 10845060
(1S,2S)-2-butylcyclopent-3-en-1-ol
CID 12101917
(e)-4,6,8-Trimethyl-7,9-undecadien-5-ol
CID 14728443
4,8,12-Trimethyltetradeca-9,11-dien-1-ol
CID 90722146

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol (CID 10492746) is cis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol is CCCCCCC/C=C/C=C(C)/C=C/[C@H]1CCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol?
The InChIKey is YJHUFZFNOANBOW-PUSFFKQZSA-N. The full InChI is InChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-12-17(2)15-16-18-13-11-14-19(18)20/h9-10,12,15-16,18-20H,3-8,11,13-14H2,1-2H3/b10-9+,16-15+,17-12+/t18-,19+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol?
cis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol has a molecular weight of 276.46 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol is sourced from PubChem (CID 10492746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).