1-hex-1-ynylcyclohexene

C12H18 — CID 11147892

IUPAC1-hex-1-ynylcyclohexene
SMILESCCCCC#CC1=CCCCC1
InChIInChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h10H,2-5,7-8,11H2,1H3
InChIKeyZRNFFLSNWMIKTN-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.68
Rot. Bonds2

About 1-hex-1-ynylcyclohexene

1-hex-1-ynylcyclohexene (PubChem CID 11147892) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-hex-1-ynylcyclohexene.

Molecular Properties

Compound Name1-hex-1-ynylcyclohexene
PubChem CID11147892
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-hex-1-ynylcyclohexene
SMILESCCCCC#CC1=CCCCC1
InChIInChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h10H,2-5,7-8,11H2,1H3
InChIKeyZRNFFLSNWMIKTN-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Terpinolene
CID 11463
gamma-Bisabolene
CID 62346
gamma-BISABOLENE, (E)-
CID 5352437
4-Propyl-3-heptene
CID 138270
gamma-Bisabolene, (Z)-
CID 3033866
1-Ethynylcyclohexene
CID 79128
Cyclohexene, 1-pentyl-
CID 139915
(1-Cyclohexen-1-ylethynyl)trimethylsilane
CID 11816203
1-Methyl-5-(propan-2-ylidene)cyclohex-1-ene
CID 11040762
Cyclohexene, 1-propyl-
CID 107833
Cyclohexene, 1-butyl-
CID 137878
Cyclohexene, 1-hexyl-
CID 138084

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-ynylcyclohexene?
The IUPAC name of 1-hex-1-ynylcyclohexene (CID 11147892) is 1-hex-1-ynylcyclohexene.
What is the SMILES notation for 1-hex-1-ynylcyclohexene?
The canonical SMILES for 1-hex-1-ynylcyclohexene is CCCCC#CC1=CCCCC1.
What is the InChIKey of 1-hex-1-ynylcyclohexene?
The InChIKey is ZRNFFLSNWMIKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h10H,2-5,7-8,11H2,1H3.
What are the key properties of 1-hex-1-ynylcyclohexene?
1-hex-1-ynylcyclohexene has a molecular weight of 162.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-ynylcyclohexene is sourced from PubChem (CID 11147892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).