1,3-bis(ethenyl)cyclohexane;ethane;methane

C13H26 — CID 145016611

IUPAC1,3-bis(ethenyl)cyclohexane;ethane;methane
SMILESC.C=CC1CCCC(C=C)C1.CC
InChIInChI=1S/C10H16.C2H6.CH4/c1-3-9-6-5-7-10(4-2)8-9;1-2;/h3-4,9-10H,1-2,5-8H2;1-2H3;1H4
InChIKeyZWYSYZDSTJEAAV-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.83
Rot. Bonds2

About 1,3-bis(ethenyl)cyclohexane;ethane;methane

1,3-bis(ethenyl)cyclohexane;ethane;methane (PubChem CID 145016611) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,3-bis(ethenyl)cyclohexane;ethane;methane.

Molecular Properties

Compound Name1,3-bis(ethenyl)cyclohexane;ethane;methane
PubChem CID145016611
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,3-bis(ethenyl)cyclohexane;ethane;methane
SMILESC.C=CC1CCCC(C=C)C1.CC
InChIInChI=1S/C10H16.C2H6.CH4/c1-3-9-6-5-7-10(4-2)8-9;1-2;/h3-4,9-10H,1-2,5-8H2;1-2H3;1H4
InChIKeyZWYSYZDSTJEAAV-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

cis-(1S,3R)-3-ethenylcyclohexan-1-ol
CID 15329925
1-(2-ethenoxyethenyl)-3-ethenylcyclohexane
CID 175170887
ethenylcyclotetradecane
CID 123915888
ethenylcyclononane
CID 123465789
methyl 3-ethenylcyclohexane-1-carboxylate
CID 142059181
1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol
CID 11608159
ethane;ethene;1-ethenyl-4-methylcyclohexane
CID 142074855
3-ethenylbicyclo[4.1.0]heptane
CID 11018855
1,2-bis(ethenyl)cyclohexane;ethane
CID 144683720
cyclohexane-1,3-dicarbaldehyde
CID 23496622
1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane
CID 123965976
2-[(3-ethenylcyclohexyl)methyl]prop-2-enoic acid
CID 118959028

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)cyclohexane;ethane;methane?
The IUPAC name of 1,3-bis(ethenyl)cyclohexane;ethane;methane (CID 145016611) is 1,3-bis(ethenyl)cyclohexane;ethane;methane.
What is the SMILES notation for 1,3-bis(ethenyl)cyclohexane;ethane;methane?
The canonical SMILES for 1,3-bis(ethenyl)cyclohexane;ethane;methane is C.C=CC1CCCC(C=C)C1.CC.
What is the InChIKey of 1,3-bis(ethenyl)cyclohexane;ethane;methane?
The InChIKey is ZWYSYZDSTJEAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C2H6.CH4/c1-3-9-6-5-7-10(4-2)8-9;1-2;/h3-4,9-10H,1-2,5-8H2;1-2H3;1H4.
What are the key properties of 1,3-bis(ethenyl)cyclohexane;ethane;methane?
1,3-bis(ethenyl)cyclohexane;ethane;methane has a molecular weight of 182.35 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)cyclohexane;ethane;methane is sourced from PubChem (CID 145016611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).