trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one

C15H24O2 — CID 70810435

IUPACtrans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one
SMILESCCC/C=C/C(O)C/C=C/[C@H]1CCC(=O)[C@@H]1C
InChIInChI=1S/C15H24O2/c1-3-4-5-8-14(16)9-6-7-13-10-11-15(17)12(13)2/h5-8,12-14,16H,3-4,9-11H2,1-2H3/b7-6+,8-5+/t12-,13+,14?/m1/s1
InChIKeyGFQLJIQWAFVAGS-HGVWWFHCSA-N
MW236.35 g/mol
LogP3.27
Rot. Bonds6

About trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one

trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one (PubChem CID 70810435) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one
PubChem CID70810435
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Nametrans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one
SMILESCCC/C=C/C(O)C/C=C/[C@H]1CCC(=O)[C@@H]1C
InChIInChI=1S/C15H24O2/c1-3-4-5-8-14(16)9-6-7-13-10-11-15(17)12(13)2/h5-8,12-14,16H,3-4,9-11H2,1-2H3/b7-6+,8-5+/t12-,13+,14?/m1/s1
InChIKeyGFQLJIQWAFVAGS-HGVWWFHCSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one with MolForge

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Related Compounds

trans-(2R,3R)-3-(4-hydroxynona-1,5-dienyl)-2-(8-hydroxy-7-oxooctyl)cyclopentan-1-one
CID 57073472
cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one
CID 11435734
2-[2-[2-(4-hydroxynona-1,5-dienyl)-5-oxocyclopentyl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
CID 76663240
(5E)-nona-1,5-dien-4-ol
CID 10931514
trans-(1S,2R)-2-methyl-3-oxocyclopentane-1-carbaldehyde
CID 14470420
trans-(2R,3R)-3-(4-fluoro-3-hydroxyoct-1-enyl)-2-[(E)-hept-3-enyl]cyclopentan-1-one
CID 70612571
trans-(2R,3R)-3-(4-hydroxynon-1-enyl)-2-(8-hydroxy-7-oxooct-2-enyl)cyclopentan-1-one
CID 57058496
trans-(2R,3R)-2-(7,8-dihydroxyoctyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one
CID 57017679
6-[2-(3-hydroxyhept-1-enyl)-5-oxocyclopentyl]hex-4-enoic acid
CID 54240901
(10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid
CID 135368928
trans-(2R,3R)-2-(8,8-dihydroxyoct-2-enyl)-3-oct-1-enylcyclopentan-1-one
CID 57296071
(E)-7-[2-[(E)-3-hydroxyhept-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 21403711

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one?
The IUPAC name of trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one (CID 70810435) is trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one.
What is the SMILES notation for trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one?
The canonical SMILES for trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one is CCC/C=C/C(O)C/C=C/[C@H]1CCC(=O)[C@@H]1C.
What is the InChIKey of trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one?
The InChIKey is GFQLJIQWAFVAGS-HGVWWFHCSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-4-5-8-14(16)9-6-7-13-10-11-15(17)12(13)2/h5-8,12-14,16H,3-4,9-11H2,1-2H3/b7-6+,8-5+/t12-,13+,14?/m1/s1.
What are the key properties of trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one?
trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one is sourced from PubChem (CID 70810435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).