2-but-3-enyl-6-(4-pentylphenyl)naphthalene

C25H28 — CID 139860505

IUPAC2-but-3-enyl-6-(4-pentylphenyl)naphthalene
SMILESC=CCCc1ccc2cc(-c3ccc(CCCCC)cc3)ccc2c1
InChIInChI=1S/C25H28/c1-3-5-7-9-20-10-13-22(14-11-20)24-17-16-23-18-21(8-6-4-2)12-15-25(23)19-24/h4,10-19H,2-3,5-9H2,1H3
InChIKeyFRALQWXBKPOOJR-UHFFFAOYSA-N
MW328.50 g/mol
LogP7.36
Rot. Bonds8

About 2-but-3-enyl-6-(4-pentylphenyl)naphthalene

2-but-3-enyl-6-(4-pentylphenyl)naphthalene (PubChem CID 139860505) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-but-3-enyl-6-(4-pentylphenyl)naphthalene.

Molecular Properties

Compound Name2-but-3-enyl-6-(4-pentylphenyl)naphthalene
PubChem CID139860505
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name2-but-3-enyl-6-(4-pentylphenyl)naphthalene
SMILESC=CCCc1ccc2cc(-c3ccc(CCCCC)cc3)ccc2c1
InChIInChI=1S/C25H28/c1-3-5-7-9-20-10-13-22(14-11-20)24-17-16-23-18-21(8-6-4-2)12-15-25(23)19-24/h4,10-19H,2-3,5-9H2,1H3
InChIKeyFRALQWXBKPOOJR-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-but-3-enyl-4-hexylbenzene
CID 91077567
N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine
CID 145234947
[4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine
CID 150718553
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-pentylnaphthalene
CID 139860728
2-but-3-enyl-6-[4-(difluoromethoxy)phenyl]naphthalene;2-[4-(difluoromethoxy)-3-fluorophenyl]-6-ethylnaphthalene;2-[4-(difluoromethoxy)phenyl]-6-heptylnaphthalene
CID 161476362
2-methyl-6-(4-octylphenyl)naphthalene
CID 59917182
6-(4-but-3-enylphenyl)-1-fluoro-2-[2-(4-heptylphenyl)ethynyl]naphthalene
CID 139877097
2-[2-(4-but-3-enylphenyl)ethynyl]-1-fluoro-6-(4-heptylphenyl)naphthalene
CID 139876511
2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene
CID 139860637
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239
4-(6-nonylnaphthalen-2-yl)benzonitrile
CID 631985

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-6-(4-pentylphenyl)naphthalene?
The IUPAC name of 2-but-3-enyl-6-(4-pentylphenyl)naphthalene (CID 139860505) is 2-but-3-enyl-6-(4-pentylphenyl)naphthalene.
What is the SMILES notation for 2-but-3-enyl-6-(4-pentylphenyl)naphthalene?
The canonical SMILES for 2-but-3-enyl-6-(4-pentylphenyl)naphthalene is C=CCCc1ccc2cc(-c3ccc(CCCCC)cc3)ccc2c1.
What is the InChIKey of 2-but-3-enyl-6-(4-pentylphenyl)naphthalene?
The InChIKey is FRALQWXBKPOOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-3-5-7-9-20-10-13-22(14-11-20)24-17-16-23-18-21(8-6-4-2)12-15-25(23)19-24/h4,10-19H,2-3,5-9H2,1H3.
What are the key properties of 2-but-3-enyl-6-(4-pentylphenyl)naphthalene?
2-but-3-enyl-6-(4-pentylphenyl)naphthalene has a molecular weight of 328.50 g/mol, XLogP of 7.36, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-(4-pentylphenyl)naphthalene is sourced from PubChem (CID 139860505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).