4-oct-1-ynylcyclohexene

C14H22 — CID 86111047

IUPAC4-oct-1-ynylcyclohexene
SMILESCCCCCCC#CC1CC=CCC1
InChIInChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9,14H,2-6,10,12-13H2,1H3
InChIKeyGIJKSNVLDSHRHW-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.32
Rot. Bonds4

About 4-oct-1-ynylcyclohexene

4-oct-1-ynylcyclohexene (PubChem CID 86111047) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 4-oct-1-ynylcyclohexene.

Molecular Properties

Compound Name4-oct-1-ynylcyclohexene
PubChem CID86111047
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name4-oct-1-ynylcyclohexene
SMILESCCCCCCC#CC1CC=CCC1
InChIInChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9,14H,2-6,10,12-13H2,1H3
InChIKeyGIJKSNVLDSHRHW-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.32
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
alpha-Bisabolene
CID 86597
alpha-Bisabolene, (E)-
CID 5315468
trans-Isolimonene
CID 22831540
(3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene
CID 78790
(-)-beta-Curcumene
CID 14014430
(Z)-alpha-Bisabolene
CID 5352653
(E,R)-alpha-bisabolene
CID 13252682
Sylvestrene
CID 12304570
(R)-1-Methyl-5-(1-methylvinyl)cyclohexene
CID 102625

Frequently Asked Questions

What is the IUPAC name of 4-oct-1-ynylcyclohexene?
The IUPAC name of 4-oct-1-ynylcyclohexene (CID 86111047) is 4-oct-1-ynylcyclohexene.
What is the SMILES notation for 4-oct-1-ynylcyclohexene?
The canonical SMILES for 4-oct-1-ynylcyclohexene is CCCCCCC#CC1CC=CCC1.
What is the InChIKey of 4-oct-1-ynylcyclohexene?
The InChIKey is GIJKSNVLDSHRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9,14H,2-6,10,12-13H2,1H3.
What are the key properties of 4-oct-1-ynylcyclohexene?
4-oct-1-ynylcyclohexene has a molecular weight of 190.33 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oct-1-ynylcyclohexene is sourced from PubChem (CID 86111047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).