1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane

C17H30 — CID 20683482

IUPAC1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
SMILESC=CCCC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C17H30/c1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16/h3,14-17H,1,4-13H2,2H3
InChIKeyMFFNALJTHCXLNQ-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.59
Rot. Bonds4

About 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane

1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 20683482) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
PubChem CID20683482
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
SMILESC=CCCC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C17H30/c1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16/h3,14-17H,1,4-13H2,2H3
InChIKeyMFFNALJTHCXLNQ-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.59
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-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
CID 53487174
1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
CID 58555570
1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18341906
3-[4-(4-methylcyclohexyl)cyclohexyl]propanal
CID 172757928
1-but-3-enyl-4-(4-iodocyclohexyl)cyclohexane
CID 89089631
1-but-3-enyl-4-(4-methoxycyclohexyl)cyclohexane
CID 19380394
1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 130414902
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
1,4-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
methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 145124798
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane (CID 20683482) is 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane is C=CCCC1CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is MFFNALJTHCXLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16/h3,14-17H,1,4-13H2,2H3.
What are the key properties of 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane?
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 234.43 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 20683482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).