(4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene

C12H16 — CID 125492551

IUPAC(4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene
SMILESC=C/C=C/C=C/[C@@H]1CC=CCC1
InChIInChI=1S/C12H16/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-7,9,12H,1,8,10-11H2/b4-3+,9-6+/t12-/m1/s1
InChIKeyRYROCDYMUXRQSR-LGXMIVFISA-N
MW160.26 g/mol
LogP3.64
Rot. Bonds3

About (4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene

(4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene (PubChem CID 125492551) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is (4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene.

Molecular Properties

Compound Name(4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene
PubChem CID125492551
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name(4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene
SMILESC=C/C=C/C=C/[C@@H]1CC=CCC1
InChIInChI=1S/C12H16/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-7,9,12H,1,8,10-11H2/b4-3+,9-6+/t12-/m1/s1
InChIKeyRYROCDYMUXRQSR-LGXMIVFISA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 162256145
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4-ethenylcyclohexene;hexa-1,5-diene
CID 18984285
4-[(E)-but-1-enyl]cyclohexene
CID 21245549
1-[(1E,3E)-4-cyclohex-3-en-1-ylbuta-1,3-dienyl]-4-methoxybenzene
CID 134996516
4-[(E)-pent-1-enyl]cyclohexene
CID 127260693
4-pent-1-enylcyclohexene
CID 54361712
4-[(E)-hex-1-enyl]cyclohexene
CID 12808064
4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine
CID 159158675
6-ethenyl-4-ethylcyclooctene
CID 123640243
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide
CID 59793407

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene?
The IUPAC name of (4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene (CID 125492551) is (4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene.
What is the SMILES notation for (4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene?
The canonical SMILES for (4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene is C=C/C=C/C=C/[C@@H]1CC=CCC1.
What is the InChIKey of (4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene?
The InChIKey is RYROCDYMUXRQSR-LGXMIVFISA-N. The full InChI is InChI=1S/C12H16/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-7,9,12H,1,8,10-11H2/b4-3+,9-6+/t12-/m1/s1.
What are the key properties of (4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene?
(4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene has a molecular weight of 160.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene is sourced from PubChem (CID 125492551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).