1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene

C28H34 — CID 143952423

IUPAC1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene
SMILESC=Cc1c(C)cc2ccccc2c1CCC(C)Cc1ccc(C(C)CC)cc1
InChIInChI=1S/C28H34/c1-6-21(4)24-15-13-23(14-16-24)18-20(3)12-17-28-26(7-2)22(5)19-25-10-8-9-11-27(25)28/h7-11,13-16,19-21H,2,6,12,17-18H2,1,3-5H3
InChIKeyQFOYUSRBAPNIDY-UHFFFAOYSA-N
MW370.58 g/mol
LogP8.12
Rot. Bonds8

About 1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene

1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene (PubChem CID 143952423) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene.

Molecular Properties

Compound Name1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene
PubChem CID143952423
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene
SMILESC=Cc1c(C)cc2ccccc2c1CCC(C)Cc1ccc(C(C)CC)cc1
InChIInChI=1S/C28H34/c1-6-21(4)24-15-13-23(14-16-24)18-20(3)12-17-28-26(7-2)22(5)19-25-10-8-9-11-27(25)28/h7-11,13-16,19-21H,2,6,12,17-18H2,1,3-5H3
InChIKeyQFOYUSRBAPNIDY-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane
CID 143275864
9-(4-butan-2-ylphenyl)anthracene
CID 22974701
1-chloro-2-ethenyl-3-methylnaphthalene
CID 67126076
6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane
CID 178128482
2,3-bis(ethenyl)-1-propylnaphthalene
CID 143956206
1-ethenyl-4-(2-methylbutyl)benzene
CID 22475803
(2-ethenyl-3-ethylnaphthalen-1-yl)methanol
CID 143952474
1-ethenyl-4-(2-phenylbutyl)benzene
CID 175031243
1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
CID 19893363
1-anthracen-9-ylpropan-2-ol
CID 19889136
9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 58602181
argon;[1-(6-butan-2-yl-2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 158582716

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene?
The IUPAC name of 1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene (CID 143952423) is 1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene.
What is the SMILES notation for 1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene?
The canonical SMILES for 1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene is C=Cc1c(C)cc2ccccc2c1CCC(C)Cc1ccc(C(C)CC)cc1.
What is the InChIKey of 1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene?
The InChIKey is QFOYUSRBAPNIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34/c1-6-21(4)24-15-13-23(14-16-24)18-20(3)12-17-28-26(7-2)22(5)19-25-10-8-9-11-27(25)28/h7-11,13-16,19-21H,2,6,12,17-18H2,1,3-5H3.
What are the key properties of 1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene?
1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene has a molecular weight of 370.58 g/mol, XLogP of 8.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene is sourced from PubChem (CID 143952423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).