4-[(Z)-hex-2-en-4-ynyl]cyclohexene

C12H16 — CID 163467133

IUPAC4-[(Z)-hex-2-en-4-ynyl]cyclohexene
SMILESCC#C/C=C\CC1CC=CCC1
InChIInChI=1S/C12H16/c1-2-3-4-6-9-12-10-7-5-8-11-12/h4-7,12H,8-11H2,1H3/b6-4-
InChIKeyBTNYBVGJJCFFRG-XQRVVYSFSA-N
MW160.26 g/mol
LogP3.31
Rot. Bonds2

About 4-[(Z)-hex-2-en-4-ynyl]cyclohexene

4-[(Z)-hex-2-en-4-ynyl]cyclohexene (PubChem CID 163467133) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 4-[(Z)-hex-2-en-4-ynyl]cyclohexene.

Molecular Properties

Compound Name4-[(Z)-hex-2-en-4-ynyl]cyclohexene
PubChem CID163467133
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name4-[(Z)-hex-2-en-4-ynyl]cyclohexene
SMILESCC#C/C=C\CC1CC=CCC1
InChIInChI=1S/C12H16/c1-2-3-4-6-9-12-10-7-5-8-11-12/h4-7,12H,8-11H2,1H3/b6-4-
InChIKeyBTNYBVGJJCFFRG-XQRVVYSFSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.31
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'}

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Related Compounds

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CID 91748880
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4-propylcyclohexene
CID 518777
buta-1,3-diene;4-(cyclohex-3-en-1-ylmethyl)cyclohexene;4-prop-2-enylcyclohexene
CID 165057381
(4R)-4-(iodomethyl)cyclohexene
CID 11770032
(4R)-4-(methoxymethyl)cyclohexene
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(1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene
CID 173246216
2-(cyclohex-3-en-1-ylmethyl)prop-2-enal
CID 23066946
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
CID 177009709
cyclohex-3-en-1-ylmethoxy(trimethyl)silane
CID 11084547
4-tetradecylcyclohexene
CID 54499913
2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol
CID 164648237

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-hex-2-en-4-ynyl]cyclohexene?
The IUPAC name of 4-[(Z)-hex-2-en-4-ynyl]cyclohexene (CID 163467133) is 4-[(Z)-hex-2-en-4-ynyl]cyclohexene.
What is the SMILES notation for 4-[(Z)-hex-2-en-4-ynyl]cyclohexene?
The canonical SMILES for 4-[(Z)-hex-2-en-4-ynyl]cyclohexene is CC#C/C=C\CC1CC=CCC1.
What is the InChIKey of 4-[(Z)-hex-2-en-4-ynyl]cyclohexene?
The InChIKey is BTNYBVGJJCFFRG-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H16/c1-2-3-4-6-9-12-10-7-5-8-11-12/h4-7,12H,8-11H2,1H3/b6-4-.
What are the key properties of 4-[(Z)-hex-2-en-4-ynyl]cyclohexene?
4-[(Z)-hex-2-en-4-ynyl]cyclohexene has a molecular weight of 160.26 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-hex-2-en-4-ynyl]cyclohexene is sourced from PubChem (CID 163467133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).