6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene

C30H40 — CID 139849823

IUPAC6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1ccc2c(c1)CCC(c1ccc(C3CCC(CCCC)CC3)cc1)C2
InChIInChI=1S/C30H40/c1-3-5-7-23-9-12-25(13-10-23)26-15-17-27(18-16-26)29-20-19-28-21-24(8-6-4-2)11-14-30(28)22-29/h4,11,14-18,21,23,25,29H,2-3,5-10,12-13,19-20,22H2,1H3
InChIKeyTZNYUXHYKFXGAD-UHFFFAOYSA-N
MW400.65 g/mol
LogP8.54
Rot. Bonds8

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

6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849823) has the molecular formula C30H40 and a molecular weight of 400.65 g/mol. Its IUPAC name is 6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139849823
Molecular FormulaC30H40
Molecular Weight400.65 g/mol
Exact Mass400.31
IUPAC Name6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1ccc2c(c1)CCC(c1ccc(C3CCC(CCCC)CC3)cc1)C2
InChIInChI=1S/C30H40/c1-3-5-7-23-9-12-25(13-10-23)26-15-17-27(18-16-26)29-20-19-28-21-24(8-6-4-2)11-14-30(28)22-29/h4,11,14-18,21,23,25,29H,2-3,5-10,12-13,19-20,22H2,1H3
InChIKeyTZNYUXHYKFXGAD-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.65
LogP ≤ 58.54
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-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848065
6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849519
6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849781
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139849353
6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849735
6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849706
2-but-3-enyl-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862382
6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139852909
2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene
CID 139848528
2-butyl-6-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500349
6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139847809
2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-6-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139849248

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene (CID 139849823) is 6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene is C=CCCc1ccc2c(c1)CCC(c1ccc(C3CCC(CCCC)CC3)cc1)C2.
What is the InChIKey of 6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is TZNYUXHYKFXGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40/c1-3-5-7-23-9-12-25(13-10-23)26-15-17-27(18-16-26)29-20-19-28-21-24(8-6-4-2)11-14-30(28)22-29/h4,11,14-18,21,23,25,29H,2-3,5-10,12-13,19-20,22H2,1H3.
What are the key properties of 6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 400.65 g/mol, XLogP of 8.54, 8 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-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).