1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane

C19H34 — CID 143761309

IUPAC1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane
SMILESC/C=C/C1CCC(CC2CCC(CCC)CC2)CC1
InChIInChI=1S/C19H34/c1-3-5-16-7-11-18(12-8-16)15-19-13-9-17(6-4-2)10-14-19/h3,5,16-19H,4,6-15H2,1-2H3/b5-3+
InChIKeyGFFUYMPPALUGRH-HWKANZROSA-N
MW262.48 g/mol
LogP6.37
Rot. Bonds5

About 1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane

1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane (PubChem CID 143761309) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane
PubChem CID143761309
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane
SMILESC/C=C/C1CCC(CC2CCC(CCC)CC2)CC1
InChIInChI=1S/C19H34/c1-3-5-16-7-11-18(12-8-16)15-19-13-9-17(6-4-2)10-14-19/h3,5,16-19H,4,6-15H2,1-2H3/b5-3+
InChIKeyGFFUYMPPALUGRH-HWKANZROSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.37
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-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 173281372
1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane
CID 158220965
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886
1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane
CID 71163863
1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane
CID 159199082
1-non-3-enyl-4-prop-1-enylcyclohexane
CID 123968866
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061
3-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]prop-2-enenitrile
CID 67589827
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane?
The IUPAC name of 1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane (CID 143761309) is 1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane.
What is the SMILES notation for 1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane?
The canonical SMILES for 1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane is C/C=C/C1CCC(CC2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane?
The InChIKey is GFFUYMPPALUGRH-HWKANZROSA-N. The full InChI is InChI=1S/C19H34/c1-3-5-16-7-11-18(12-8-16)15-19-13-9-17(6-4-2)10-14-19/h3,5,16-19H,4,6-15H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane?
1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane has a molecular weight of 262.48 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane is sourced from PubChem (CID 143761309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).