methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane

C13H26 — CID 158715477

IUPACmethane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane
SMILESC.C/C=C/CCC1CCC(C)CC1
InChIInChI=1S/C12H22.CH4/c1-3-4-5-6-12-9-7-11(2)8-10-12;/h3-4,11-12H,5-10H2,1-2H3;1H4/b4-3+;
InChIKeyIJGFVYYATMRJSP-BJILWQEISA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds3

About methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane

methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane (PubChem CID 158715477) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane.

Molecular Properties

Compound Namemethane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane
PubChem CID158715477
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Namemethane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane
SMILESC.C/C=C/CCC1CCC(C)CC1
InChIInChI=1S/C12H22.CH4/c1-3-4-5-6-12-9-7-11(2)8-10-12;/h3-4,11-12H,5-10H2,1-2H3;1H4/b4-3+;
InChIKeyIJGFVYYATMRJSP-BJILWQEISA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
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

methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 145124798
1-pent-3-enyl-4-propylcyclohexane
CID 72599468
1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 23569878
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 90851884
1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane
CID 19070114
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
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-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
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
1-nitro-4-[(E)-pent-3-enyl]cyclohexane
CID 140685569
1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070206
1-non-1-enyl-4-pent-3-enylcyclohexane
CID 123569351

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane?
The IUPAC name of methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane (CID 158715477) is methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane.
What is the SMILES notation for methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane?
The canonical SMILES for methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane is C.C/C=C/CCC1CCC(C)CC1.
What is the InChIKey of methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane?
The InChIKey is IJGFVYYATMRJSP-BJILWQEISA-N. The full InChI is InChI=1S/C12H22.CH4/c1-3-4-5-6-12-9-7-11(2)8-10-12;/h3-4,11-12H,5-10H2,1-2H3;1H4/b4-3+;.
What are the key properties of methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane?
methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane is sourced from PubChem (CID 158715477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).