(3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene

C22H40 — CID 22811219

IUPAC(3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene
SMILESCCCCCCCC/C=C/[C@H]1C=CC[C@@H]1CCCCCCC
InChIInChI=1S/C22H40/c1-3-5-7-9-10-11-13-15-18-22-20-16-19-21(22)17-14-12-8-6-4-2/h15-16,18,20-22H,3-14,17,19H2,1-2H3/b18-15+/t21-,22-/m0/s1
InChIKeyRBJHGGUBJBERQM-WGAMMNODSA-N
MW304.56 g/mol
LogP7.85
Rot. Bonds14

About (3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene

(3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene (PubChem CID 22811219) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is (3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene.

Molecular Properties

Compound Name(3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene
PubChem CID22811219
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name(3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene
SMILESCCCCCCCC/C=C/[C@H]1C=CC[C@@H]1CCCCCCC
InChIInChI=1S/C22H40/c1-3-5-7-9-10-11-13-15-18-22-20-16-19-21(22)17-14-12-8-6-4-2/h15-16,18,20-22H,3-14,17,19H2,1-2H3/b18-15+/t21-,22-/m0/s1
InChIKeyRBJHGGUBJBERQM-WGAMMNODSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-3-oct-1-enyl-4-oct-2-enylcyclopentene
CID 57204921
methyl 7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopent-3-en-1-yl]heptanoate
CID 163523544
8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol
CID 54523599
6-(7-hept-1-enylcyclohepta-2,5-dien-1-yl)hexanoic acid
CID 54359075
2,2-dihydroxy-6-methyl-7-[(1R,2S)-2-oct-1-enylcyclopent-3-en-1-yl]hepta-4,5-dienoic acid
CID 57162282
2-ethenyl-8-[(1S,2R)-2-[(4S)-4-methyldeca-1,5-dienyl]cyclopent-3-en-1-yl]octane-1,2-diol
CID 54105015
trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
8-[(1S,2R)-2-[(E)-4-ethyl-4-hydroxydec-1-enyl]cyclopent-3-en-1-yl]octyl acetate
CID 70583229
[2-hydroxy-8-[(1S,2R)-2-[(4R)-4-methyldec-1-enyl]cyclopent-3-en-1-yl]octyl] acetate
CID 54361412
8-[(1S,2R)-2-[(E)-4-cyclopropyl-4-hydroxydec-1-enyl]cyclopent-3-en-1-yl]octyl acetate
CID 70581479

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene?
The IUPAC name of (3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene (CID 22811219) is (3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene.
What is the SMILES notation for (3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene?
The canonical SMILES for (3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene is CCCCCCCC/C=C/[C@H]1C=CC[C@@H]1CCCCCCC.
What is the InChIKey of (3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene?
The InChIKey is RBJHGGUBJBERQM-WGAMMNODSA-N. The full InChI is InChI=1S/C22H40/c1-3-5-7-9-10-11-13-15-18-22-20-16-19-21(22)17-14-12-8-6-4-2/h15-16,18,20-22H,3-14,17,19H2,1-2H3/b18-15+/t21-,22-/m0/s1.
What are the key properties of (3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene?
(3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene has a molecular weight of 304.56 g/mol, XLogP of 7.85, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene is sourced from PubChem (CID 22811219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).