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

C19H36 — CID 145124798

IUPACmethane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
SMILESC.C/C=C/CCC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C18H32.CH4/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;/h3-4,15-18H,5-14H2,1-2H3;1H4/b4-3+;
InChIKeyMKFWGENTGBIDDJ-BJILWQEISA-N
MW264.50 g/mol
LogP6.61
Rot. Bonds4

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

methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane (PubChem CID 145124798) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Namemethane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
PubChem CID145124798
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Namemethane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
SMILESC.C/C=C/CCC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C18H32.CH4/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;/h3-4,15-18H,5-14H2,1-2H3;1H4/b4-3+;
InChIKeyMKFWGENTGBIDDJ-BJILWQEISA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.61
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-[(E)-pent-3-enyl]cyclohexane
CID 158715477
1-pent-3-enyl-4-propylcyclohexane
CID 72599468
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20734074
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
1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 23569878
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
2-[(E)-pent-3-enyl]-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866166
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 90851884
3-[4-(4-methylcyclohexyl)cyclohexyl]propanal
CID 172757928
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
The IUPAC name of methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane (CID 145124798) is methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane is C.C/C=C/CCC1CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
The InChIKey is MKFWGENTGBIDDJ-BJILWQEISA-N. The full InChI is InChI=1S/C18H32.CH4/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;/h3-4,15-18H,5-14H2,1-2H3;1H4/b4-3+;.
What are the key properties of methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane has a molecular weight of 264.50 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 145124798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).