6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene

C29H36 — CID 139849735

IUPAC6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1ccc2c(c1)CCC(c1ccc(C3CCC(/C=C/C)CC3)cc1)C2
InChIInChI=1S/C29H36/c1-3-5-7-23-10-13-29-21-28(19-18-27(29)20-23)26-16-14-25(15-17-26)24-11-8-22(6-4-2)9-12-24/h3-4,6,10,13-17,20,22,24,28H,1,5,7-9,11-12,18-19,21H2,2H3/b6-4+
InChIKeyLJXANRYVUGLVPQ-GQCTYLIASA-N
MW384.61 g/mol
LogP7.93
Rot. Bonds6

About 6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene

6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849735) has the molecular formula C29H36 and a molecular weight of 384.61 g/mol. Its IUPAC name is 6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139849735
Molecular FormulaC29H36
Molecular Weight384.61 g/mol
Exact Mass384.28
IUPAC Name6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1ccc2c(c1)CCC(c1ccc(C3CCC(/C=C/C)CC3)cc1)C2
InChIInChI=1S/C29H36/c1-3-5-7-23-10-13-29-21-28(19-18-27(29)20-23)26-16-14-25(15-17-26)24-11-8-22(6-4-2)9-12-24/h3-4,6,10,13-17,20,22,24,28H,1,5,7-9,11-12,18-19,21H2,2H3/b6-4+
InChIKeyLJXANRYVUGLVPQ-GQCTYLIASA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 57.93
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-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 161061804
6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849706
6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849823
6-but-3-enyl-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848065
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139849353
6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853341
6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849868
2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139847826
2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853671
6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849781
1-(pent-4-enoxymethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]benzene
CID 67677311
6-but-3-enyl-2-(4-ethenyl-2,6-difluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849251

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene (CID 139849735) is 6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene is C=CCCc1ccc2c(c1)CCC(c1ccc(C3CCC(/C=C/C)CC3)cc1)C2.
What is the InChIKey of 6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LJXANRYVUGLVPQ-GQCTYLIASA-N. The full InChI is InChI=1S/C29H36/c1-3-5-7-23-10-13-29-21-28(19-18-27(29)20-23)26-16-14-25(15-17-26)24-11-8-22(6-4-2)9-12-24/h3-4,6,10,13-17,20,22,24,28H,1,5,7-9,11-12,18-19,21H2,2H3/b6-4+.
What are the key properties of 6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene?
6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 384.61 g/mol, XLogP of 7.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).