1-butyl-3-hex-1-en-2-ylbenzene

C16H24 — CID 157480093

IUPAC1-butyl-3-hex-1-en-2-ylbenzene
SMILESC=C(CCCC)c1cccc(CCCC)c1
InChIInChI=1S/C16H24/c1-4-6-9-14(3)16-12-8-11-15(13-16)10-7-5-2/h8,11-13H,3-7,9-10H2,1-2H3
InChIKeyYMXOOACUGJOYAH-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.23
Rot. Bonds7

About 1-butyl-3-hex-1-en-2-ylbenzene

1-butyl-3-hex-1-en-2-ylbenzene (PubChem CID 157480093) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-butyl-3-hex-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-butyl-3-hex-1-en-2-ylbenzene
PubChem CID157480093
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-butyl-3-hex-1-en-2-ylbenzene
SMILESC=C(CCCC)c1cccc(CCCC)c1
InChIInChI=1S/C16H24/c1-4-6-9-14(3)16-12-8-11-15(13-16)10-7-5-2/h8,11-13H,3-7,9-10H2,1-2H3
InChIKeyYMXOOACUGJOYAH-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-hex-1-en-2-yl-3-propan-2-ylbenzene
CID 160544423
lithium 3-butylbenzoate
CID 101299949
3-hept-1-en-2-ylphenol
CID 67877089
(3-butylbenzoyl) 3-butylbenzoate
CID 139993178
1-methyl-3-oct-1-en-2-ylbenzene
CID 102357647
N'-amino-3-butylbenzenecarboximidamide
CID 54572908
1-hex-1-en-2-yl-4-propylbenzene
CID 22166244
1-prop-1-en-2-yl-3-propylbenzene
CID 22486655
1-(3-butylphenyl)-3-(3,5-dibutylphenyl)propane-1,3-dione
CID 130220574
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
3-octylbenzoate
CID 140615261
sodium 3-pentylbenzoate
CID 169082106

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-hex-1-en-2-ylbenzene?
The IUPAC name of 1-butyl-3-hex-1-en-2-ylbenzene (CID 157480093) is 1-butyl-3-hex-1-en-2-ylbenzene.
What is the SMILES notation for 1-butyl-3-hex-1-en-2-ylbenzene?
The canonical SMILES for 1-butyl-3-hex-1-en-2-ylbenzene is C=C(CCCC)c1cccc(CCCC)c1.
What is the InChIKey of 1-butyl-3-hex-1-en-2-ylbenzene?
The InChIKey is YMXOOACUGJOYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-4-6-9-14(3)16-12-8-11-15(13-16)10-7-5-2/h8,11-13H,3-7,9-10H2,1-2H3.
What are the key properties of 1-butyl-3-hex-1-en-2-ylbenzene?
1-butyl-3-hex-1-en-2-ylbenzene has a molecular weight of 216.37 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-hex-1-en-2-ylbenzene is sourced from PubChem (CID 157480093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).