1-ethenyl-4-methylcyclohexane;molecular hydrogen

C9H18 — CID 142076315

IUPAC1-ethenyl-4-methylcyclohexane;molecular hydrogen
SMILESC=CC1CCC(C)CC1.[H][H]
InChIInChI=1S/C9H16.H2/c1-3-9-6-4-8(2)5-7-9;/h3,8-9H,1,4-7H2,2H3;1H
InChIKeyGKJWGKAFSZVUBU-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.24
Rot. Bonds1

About 1-ethenyl-4-methylcyclohexane;molecular hydrogen

1-ethenyl-4-methylcyclohexane;molecular hydrogen (PubChem CID 142076315) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1-ethenyl-4-methylcyclohexane;molecular hydrogen.

Molecular Properties

Compound Name1-ethenyl-4-methylcyclohexane;molecular hydrogen
PubChem CID142076315
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1-ethenyl-4-methylcyclohexane;molecular hydrogen
SMILESC=CC1CCC(C)CC1.[H][H]
InChIInChI=1S/C9H16.H2/c1-3-9-6-4-8(2)5-7-9;/h3,8-9H,1,4-7H2,2H3;1H
InChIKeyGKJWGKAFSZVUBU-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;1-ethenyl-4-methylcyclohexane
CID 142074855
bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane
CID 123322399
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859
N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine
CID 163800957
1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 144859072
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
CID 160864488
4-ethenyl-1-methylpiperidine;molecular hydrogen
CID 143787743
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen
CID 158903641
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 161342779
N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine
CID 140571030
1,4-bis(4-ethenylcyclohexyl)cyclohexane;1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-4-(4-methylcyclohexyl)cyclohexane;1-(4-ethenylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-[(E)-2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;molecular hydrogen
CID 157307820
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide
CID 159297560

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methylcyclohexane;molecular hydrogen?
The IUPAC name of 1-ethenyl-4-methylcyclohexane;molecular hydrogen (CID 142076315) is 1-ethenyl-4-methylcyclohexane;molecular hydrogen.
What is the SMILES notation for 1-ethenyl-4-methylcyclohexane;molecular hydrogen?
The canonical SMILES for 1-ethenyl-4-methylcyclohexane;molecular hydrogen is C=CC1CCC(C)CC1.[H][H].
What is the InChIKey of 1-ethenyl-4-methylcyclohexane;molecular hydrogen?
The InChIKey is GKJWGKAFSZVUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.H2/c1-3-9-6-4-8(2)5-7-9;/h3,8-9H,1,4-7H2,2H3;1H.
What are the key properties of 1-ethenyl-4-methylcyclohexane;molecular hydrogen?
1-ethenyl-4-methylcyclohexane;molecular hydrogen has a molecular weight of 126.24 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methylcyclohexane;molecular hydrogen is sourced from PubChem (CID 142076315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).