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

C17H32 — CID 159017755

IUPACmethane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC.C/C=C/C1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C16H28.CH4/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;/h3-4,13-16H,5-12H2,1-2H3;1H4/b4-3+;
InChIKeyJTHOMYDGMXNCHT-BJILWQEISA-N
MW236.44 g/mol
LogP5.83
Rot. Bonds2

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

methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (PubChem CID 159017755) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Namemethane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
PubChem CID159017755
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Namemethane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC.C/C=C/C1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C16H28.CH4/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;/h3-4,13-16H,5-12H2,1-2H3;1H4/b4-3+;
InChIKeyJTHOMYDGMXNCHT-BJILWQEISA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.83
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-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 59775475
1-[4-[(1E,5E)-hepta-1,5-dienyl]cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 59927398
1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane
CID 158214961
1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane
CID 158220965
1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane
CID 134454006
1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 159873828
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 90684814
[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol
CID 54475864
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;octahydrate
CID 160792991
1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (CID 159017755) is methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is C.C/C=C/C1CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is JTHOMYDGMXNCHT-BJILWQEISA-N. The full InChI is InChI=1S/C16H28.CH4/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;/h3-4,13-16H,5-12H2,1-2H3;1H4/b4-3+;.
What are the key properties of methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 236.44 g/mol, XLogP of 5.83, 2 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)-prop-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 159017755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).