2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene

C28H36 — CID 139849353

IUPAC2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCC1CCC(c2ccc(C3CCc4cc(CC)ccc4C3)cc2)CC1
InChIInChI=1S/C28H36/c1-3-5-6-22-8-10-23(11-9-22)24-13-15-25(16-14-24)27-18-17-26-19-21(4-2)7-12-28(26)20-27/h3,7,12-16,19,22-23,27H,1,4-6,8-11,17-18,20H2,2H3
InChIKeyOQVUDIYXMNGKOR-UHFFFAOYSA-N
MW372.60 g/mol
LogP7.76
Rot. Bonds6

About 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene

2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849353) has the molecular formula C28H36 and a molecular weight of 372.60 g/mol. Its IUPAC name is 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID139849353
Molecular FormulaC28H36
Molecular Weight372.60 g/mol
Exact Mass372.28
IUPAC Name2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCC1CCC(c2ccc(C3CCc4cc(CC)ccc4C3)cc2)CC1
InChIInChI=1S/C28H36/c1-3-5-6-22-8-10-23(11-9-22)24-13-15-25(16-14-24)27-18-17-26-19-21(4-2)7-12-28(26)20-27/h3,7,12-16,19,22-23,27H,1,4-6,8-11,17-18,20H2,2H3
InChIKeyOQVUDIYXMNGKOR-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 57.76
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

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
6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 139853300
6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849519
6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849735
2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849417
2-[4-(4-but-3-enylcyclohexyl)phenyl]-5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalene
CID 139848835
6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139852909
6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849706
6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849781
2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139847826
6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848472

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene (CID 139849353) is 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene is C=CCCC1CCC(c2ccc(C3CCc4cc(CC)ccc4C3)cc2)CC1.
What is the InChIKey of 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OQVUDIYXMNGKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36/c1-3-5-6-22-8-10-23(11-9-22)24-13-15-25(16-14-24)27-18-17-26-19-21(4-2)7-12-28(26)20-27/h3,7,12-16,19,22-23,27H,1,4-6,8-11,17-18,20H2,2H3.
What are the key properties of 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene?
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 372.60 g/mol, XLogP of 7.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).