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

C29H38 — CID 139853300

IUPAC6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCC1CCC(c2ccc(-c3ccc4c(c3)CCC(CCC)C4)cc2)CC1
InChIInChI=1S/C29H38/c1-3-5-7-22-8-11-24(12-9-22)25-14-16-26(17-15-25)28-19-18-27-20-23(6-4-2)10-13-29(27)21-28/h3,14-19,21-24H,1,4-13,20H2,2H3
InChIKeyRLASXHVNPBOZRY-UHFFFAOYSA-N
MW386.62 g/mol
LogP8.50
Rot. Bonds7

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

6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853300) has the molecular formula C29H38 and a molecular weight of 386.62 g/mol. Its IUPAC name is 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene
PubChem CID139853300
Molecular FormulaC29H38
Molecular Weight386.62 g/mol
Exact Mass386.30
IUPAC Name6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCC1CCC(c2ccc(-c3ccc4c(c3)CCC(CCC)C4)cc2)CC1
InChIInChI=1S/C29H38/c1-3-5-7-22-8-11-24(12-9-22)25-14-16-26(17-15-25)28-19-18-27-20-23(6-4-2)10-13-29(27)21-28/h3,14-19,21-24H,1,4-13,20H2,2H3
InChIKeyRLASXHVNPBOZRY-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene (CID 139853300) is 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene is C=CCCC1CCC(c2ccc(-c3ccc4c(c3)CCC(CCC)C4)cc2)CC1.
What is the InChIKey of 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RLASXHVNPBOZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38/c1-3-5-7-22-8-11-24(12-9-22)25-14-16-26(17-15-25)28-19-18-27-20-23(6-4-2)10-13-29(27)21-28/h3,14-19,21-24H,1,4-13,20H2,2H3.
What are the key properties of 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene?
6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 386.62 g/mol, XLogP of 8.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).