1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene

C34H54O — CID 54355943

IUPAC1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene
SMILESC=CCCOCc1ccc(CCCCC2CCC(CCCCC3CCC(C=CC)CC3)CC2)cc1
InChIInChI=1S/C34H54O/c1-3-5-27-35-28-34-25-23-33(24-26-34)14-9-8-13-32-21-19-31(20-22-32)12-7-6-11-30-17-15-29(10-4-2)16-18-30/h3-4,10,23-26,29-32H,1,5-9,11-22,27-28H2,2H3
InChIKeyUJCHPBPWRQIOSH-UHFFFAOYSA-N
MW478.81 g/mol
LogP10.24
Rot. Bonds16

About 1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene

1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene (PubChem CID 54355943) has the molecular formula C34H54O and a molecular weight of 478.81 g/mol. Its IUPAC name is 1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene.

Molecular Properties

Compound Name1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene
PubChem CID54355943
Molecular FormulaC34H54O
Molecular Weight478.81 g/mol
Exact Mass478.42
IUPAC Name1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene
SMILESC=CCCOCc1ccc(CCCCC2CCC(CCCCC3CCC(C=CC)CC3)CC2)cc1
InChIInChI=1S/C34H54O/c1-3-5-27-35-28-34-25-23-33(24-26-34)14-9-8-13-32-21-19-31(20-22-32)12-7-6-11-30-17-15-29(10-4-2)16-18-30/h3-4,10,23-26,29-32H,1,5-9,11-22,27-28H2,2H3
InChIKeyUJCHPBPWRQIOSH-UHFFFAOYSA-N
XLogP10.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.81
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene with MolForge

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Related Compounds

1-(but-3-enoxymethyl)-4-[4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]phenyl]benzene
CID 67677298
1-(pent-4-enoxymethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]benzene
CID 67677311
1-(pent-3-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)benzene
CID 54403576
1-(pent-3-enoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 67677295
1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 54227543
1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 161061804
3-(4-hexa-1,5-dienylcyclohexyl)propylbenzene
CID 57017107
2-[4-(but-3-enoxymethyl)phenyl]ethanamine
CID 105348936
1-(4-but-2-enylcyclohexyl)-4-(pent-4-enoxymethyl)benzene
CID 54568154
2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine
CID 105348956
2-fluoro-4-[2-(4-prop-1-enylcyclohexyl)ethyl]-1-(propoxymethyl)benzene
CID 54382352
1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene
CID 57241034

Frequently Asked Questions

What is the IUPAC name of 1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene?
The IUPAC name of 1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene (CID 54355943) is 1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene.
What is the SMILES notation for 1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene?
The canonical SMILES for 1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene is C=CCCOCc1ccc(CCCCC2CCC(CCCCC3CCC(C=CC)CC3)CC2)cc1.
What is the InChIKey of 1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene?
The InChIKey is UJCHPBPWRQIOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54O/c1-3-5-27-35-28-34-25-23-33(24-26-34)14-9-8-13-32-21-19-31(20-22-32)12-7-6-11-30-17-15-29(10-4-2)16-18-30/h3-4,10,23-26,29-32H,1,5-9,11-22,27-28H2,2H3.
What are the key properties of 1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene?
1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene has a molecular weight of 478.81 g/mol, XLogP of 10.24, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-enoxymethyl)-4-[4-[4-[4-(4-prop-1-enylcyclohexyl)butyl]cyclohexyl]butyl]benzene is sourced from PubChem (CID 54355943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).