ethane;ethene;1-ethenyl-4-methylcyclohexane

C13H26 — CID 142074855

IUPACethane;ethene;1-ethenyl-4-methylcyclohexane
SMILESC=C.C=CC1CCC(C)CC1.CC
InChIInChI=1S/C9H16.C2H6.C2H4/c1-3-9-6-4-8(2)5-7-9;2*1-2/h3,8-9H,1,4-7H2,2H3;1-2H3;1-2H2
InChIKeyKHFFVOBTXQOSDZ-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.83
Rot. Bonds1

About ethane;ethene;1-ethenyl-4-methylcyclohexane

ethane;ethene;1-ethenyl-4-methylcyclohexane (PubChem CID 142074855) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is ethane;ethene;1-ethenyl-4-methylcyclohexane.

Molecular Properties

Compound Nameethane;ethene;1-ethenyl-4-methylcyclohexane
PubChem CID142074855
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Nameethane;ethene;1-ethenyl-4-methylcyclohexane
SMILESC=C.C=CC1CCC(C)CC1.CC
InChIInChI=1S/C9H16.C2H6.C2H4/c1-3-9-6-4-8(2)5-7-9;2*1-2/h3,8-9H,1,4-7H2,2H3;1-2H3;1-2H2
InChIKeyKHFFVOBTXQOSDZ-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.83
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

1-ethenyl-4-methylcyclohexane;molecular hydrogen
CID 142076315
bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane
CID 123322399
1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 144859072
N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine
CID 163800957
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine
CID 140571030
ethane;methylcyclopropane
CID 158329065
but-1-ene;ethane;methylcyclopentane
CID 153403390
1-ethenyl-4-[1-(4-ethenylcyclohexyl)ethyl]cyclohexane
CID 153439228
1,3-dimethylcyclopentane;ethene;prop-1-ene
CID 143207581
ethane;methylcyclopentane;prop-1-ene
CID 142437781
(E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine
CID 20730842

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;1-ethenyl-4-methylcyclohexane?
The IUPAC name of ethane;ethene;1-ethenyl-4-methylcyclohexane (CID 142074855) is ethane;ethene;1-ethenyl-4-methylcyclohexane.
What is the SMILES notation for ethane;ethene;1-ethenyl-4-methylcyclohexane?
The canonical SMILES for ethane;ethene;1-ethenyl-4-methylcyclohexane is C=C.C=CC1CCC(C)CC1.CC.
What is the InChIKey of ethane;ethene;1-ethenyl-4-methylcyclohexane?
The InChIKey is KHFFVOBTXQOSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C2H6.C2H4/c1-3-9-6-4-8(2)5-7-9;2*1-2/h3,8-9H,1,4-7H2,2H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;1-ethenyl-4-methylcyclohexane?
ethane;ethene;1-ethenyl-4-methylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;1-ethenyl-4-methylcyclohexane is sourced from PubChem (CID 142074855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).