1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene

C35H52O — CID 54482607

IUPAC1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene
SMILESCC=CCCc1ccc(CCCCC2CCC(CCc3ccc(OC)c(CCCCC)c3)CC2)cc1
InChIInChI=1S/C35H52O/c1-4-6-8-12-29-16-18-30(19-17-29)13-10-11-14-31-20-22-32(23-21-31)24-25-33-26-27-35(36-3)34(28-33)15-9-7-5-2/h4,6,16-19,26-28,31-32H,5,7-15,20-25H2,1-3H3
InChIKeyXQBVSELJGZFDGG-UHFFFAOYSA-N
MW488.80 g/mol
LogP10.09
Rot. Bonds16

About 1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene

1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene (PubChem CID 54482607) has the molecular formula C35H52O and a molecular weight of 488.80 g/mol. Its IUPAC name is 1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene.

Molecular Properties

Compound Name1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene
PubChem CID54482607
Molecular FormulaC35H52O
Molecular Weight488.80 g/mol
Exact Mass488.40
IUPAC Name1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene
SMILESCC=CCCc1ccc(CCCCC2CCC(CCc3ccc(OC)c(CCCCC)c3)CC2)cc1
InChIInChI=1S/C35H52O/c1-4-6-8-12-29-16-18-30(19-17-29)13-10-11-14-31-20-22-32(23-21-31)24-25-33-26-27-35(36-3)34(28-33)15-9-7-5-2/h4,6,16-19,26-28,31-32H,5,7-15,20-25H2,1-3H3
InChIKeyXQBVSELJGZFDGG-UHFFFAOYSA-N
XLogP10.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.80
LogP ≤ 510.09
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'}

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Related Compounds

1-methoxy-2-pentyl-4-[4-[4-[4-(4-prop-1-enylphenyl)butyl]cyclohexyl]butyl]benzene
CID 54099908
1-methoxy-2-pentyl-4-[4-[4-[4-[4-[(E)-prop-1-enyl]phenyl]butyl]cyclohexyl]butyl]benzene
CID 67677379
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene
CID 59545688
2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861118
1-[(E)-hept-3-enyl]-4-[2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 139787874
1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-pentylnaphthalene
CID 139861400
1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863128
2-methyl-1-[2-(4-nonylcyclohexyl)ethyl]-4-pentylbenzene
CID 19008463
1-iodo-4-[4-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 54022036
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
2-fluoro-1-[(4-pentylcyclohexyl)methoxy]-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19008189

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene?
The IUPAC name of 1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene (CID 54482607) is 1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene.
What is the SMILES notation for 1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene?
The canonical SMILES for 1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene is CC=CCCc1ccc(CCCCC2CCC(CCc3ccc(OC)c(CCCCC)c3)CC2)cc1.
What is the InChIKey of 1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene?
The InChIKey is XQBVSELJGZFDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52O/c1-4-6-8-12-29-16-18-30(19-17-29)13-10-11-14-31-20-22-32(23-21-31)24-25-33-26-27-35(36-3)34(28-33)15-9-7-5-2/h4,6,16-19,26-28,31-32H,5,7-15,20-25H2,1-3H3.
What are the key properties of 1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene?
1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene has a molecular weight of 488.80 g/mol, XLogP of 10.09, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene is sourced from PubChem (CID 54482607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).