1-butyl-4-(2-methylbut-3-enyl)benzene

C15H22 — CID 83921809

IUPAC1-butyl-4-(2-methylbut-3-enyl)benzene
SMILESC=CC(C)Cc1ccc(CCCC)cc1
InChIInChI=1S/C15H22/c1-4-6-7-14-8-10-15(11-9-14)12-13(3)5-2/h5,8-11,13H,2,4,6-7,12H2,1,3H3
InChIKeySPWRGTPLELTLGH-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.39
Rot. Bonds6

About 1-butyl-4-(2-methylbut-3-enyl)benzene

1-butyl-4-(2-methylbut-3-enyl)benzene (PubChem CID 83921809) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-butyl-4-(2-methylbut-3-enyl)benzene.

Molecular Properties

Compound Name1-butyl-4-(2-methylbut-3-enyl)benzene
PubChem CID83921809
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-butyl-4-(2-methylbut-3-enyl)benzene
SMILESC=CC(C)Cc1ccc(CCCC)cc1
InChIInChI=1S/C15H22/c1-4-6-7-14-8-10-15(11-9-14)12-13(3)5-2/h5,8-11,13H,2,4,6-7,12H2,1,3H3
InChIKeySPWRGTPLELTLGH-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.39
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

1-(2-methylpropyl)-4-pentylbenzene
CID 57045392
1-(4-butylphenyl)-3-fluoropropan-2-amine
CID 143418394
1-tert-butyl-4-[4-(2-methylbut-3-enyl)phenyl]benzene
CID 170786148
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-butyl-4-nonylbenzene
CID 59545302
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-pentyl-4-prop-2-enylbenzene
CID 24721930
1-butyl-4-hex-5-en-3-ylbenzene
CID 83921804
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
but-1-ene;4-butyl-N-methylaniline
CID 142016759

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2-methylbut-3-enyl)benzene?
The IUPAC name of 1-butyl-4-(2-methylbut-3-enyl)benzene (CID 83921809) is 1-butyl-4-(2-methylbut-3-enyl)benzene.
What is the SMILES notation for 1-butyl-4-(2-methylbut-3-enyl)benzene?
The canonical SMILES for 1-butyl-4-(2-methylbut-3-enyl)benzene is C=CC(C)Cc1ccc(CCCC)cc1.
What is the InChIKey of 1-butyl-4-(2-methylbut-3-enyl)benzene?
The InChIKey is SPWRGTPLELTLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-4-6-7-14-8-10-15(11-9-14)12-13(3)5-2/h5,8-11,13H,2,4,6-7,12H2,1,3H3.
What are the key properties of 1-butyl-4-(2-methylbut-3-enyl)benzene?
1-butyl-4-(2-methylbut-3-enyl)benzene has a molecular weight of 202.34 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2-methylbut-3-enyl)benzene is sourced from PubChem (CID 83921809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).