[(3S)-hex-5-en-1-yn-3-yl]cyclohexane

C12H18 — CID 102433430

IUPAC[(3S)-hex-5-en-1-yn-3-yl]cyclohexane
SMILESC#C[C@@H](CC=C)C1CCCCC1
InChIInChI=1S/C12H18/c1-3-8-11(4-2)12-9-6-5-7-10-12/h2-3,11-12H,1,5-10H2/t11-/m0/s1
InChIKeySEIBISXKNZHJIO-NSHDSACASA-N
MW162.28 g/mol
LogP3.39
Rot. Bonds3

About [(3S)-hex-5-en-1-yn-3-yl]cyclohexane

[(3S)-hex-5-en-1-yn-3-yl]cyclohexane (PubChem CID 102433430) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is [(3S)-hex-5-en-1-yn-3-yl]cyclohexane.

Molecular Properties

Compound Name[(3S)-hex-5-en-1-yn-3-yl]cyclohexane
PubChem CID102433430
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name[(3S)-hex-5-en-1-yn-3-yl]cyclohexane
SMILESC#C[C@@H](CC=C)C1CCCCC1
InChIInChI=1S/C12H18/c1-3-8-11(4-2)12-9-6-5-7-10-12/h2-3,11-12H,1,5-10H2/t11-/m0/s1
InChIKeySEIBISXKNZHJIO-NSHDSACASA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3S)-hex-5-en-1-yn-3-yl]cyclohexane 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

1-cyclooctylbut-3-en-1-amine
CID 80604015
[(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane
CID 100966370
2-cyclohexylpent-4-en-1-ol
CID 77257118
1-bromopent-4-en-2-ylcyclopentane
CID 131225659
1-cyclohexylpent-4-en-2-ol
CID 13166988
2-cyclohexyl-N-methylpent-4-en-1-amine
CID 77230357
(1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol
CID 139248849
4-cyclohexylhept-6-enal
CID 101297899
(3-cyclohexyl-3-prop-2-enoxyprop-1-ynyl)-trimethylsilane
CID 11207460
1-cyclooctylprop-2-yn-1-ol
CID 22150534
1-cyclohexylbut-3-enyl acetate
CID 11481011
cyclopentyl(prop-2-enoxy)methanol
CID 163201000

Frequently Asked Questions

What is the IUPAC name of [(3S)-hex-5-en-1-yn-3-yl]cyclohexane?
The IUPAC name of [(3S)-hex-5-en-1-yn-3-yl]cyclohexane (CID 102433430) is [(3S)-hex-5-en-1-yn-3-yl]cyclohexane.
What is the SMILES notation for [(3S)-hex-5-en-1-yn-3-yl]cyclohexane?
The canonical SMILES for [(3S)-hex-5-en-1-yn-3-yl]cyclohexane is C#C[C@@H](CC=C)C1CCCCC1.
What is the InChIKey of [(3S)-hex-5-en-1-yn-3-yl]cyclohexane?
The InChIKey is SEIBISXKNZHJIO-NSHDSACASA-N. The full InChI is InChI=1S/C12H18/c1-3-8-11(4-2)12-9-6-5-7-10-12/h2-3,11-12H,1,5-10H2/t11-/m0/s1.
What are the key properties of [(3S)-hex-5-en-1-yn-3-yl]cyclohexane?
[(3S)-hex-5-en-1-yn-3-yl]cyclohexane has a molecular weight of 162.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-hex-5-en-1-yn-3-yl]cyclohexane is sourced from PubChem (CID 102433430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).