1-hex-1-en-2-yl-3-propan-2-ylbenzene

C15H22 — CID 160544423

IUPAC1-hex-1-en-2-yl-3-propan-2-ylbenzene
SMILESC=C(CCCC)c1cccc(C(C)C)c1
InChIInChI=1S/C15H22/c1-5-6-8-13(4)15-10-7-9-14(11-15)12(2)3/h7,9-12H,4-6,8H2,1-3H3
InChIKeyTUMPKLOCZGPCOR-UHFFFAOYSA-N
MW202.34 g/mol
LogP5.01
Rot. Bonds5

About 1-hex-1-en-2-yl-3-propan-2-ylbenzene

1-hex-1-en-2-yl-3-propan-2-ylbenzene (PubChem CID 160544423) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-hex-1-en-2-yl-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-hex-1-en-2-yl-3-propan-2-ylbenzene
PubChem CID160544423
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-hex-1-en-2-yl-3-propan-2-ylbenzene
SMILESC=C(CCCC)c1cccc(C(C)C)c1
InChIInChI=1S/C15H22/c1-5-6-8-13(4)15-10-7-9-14(11-15)12(2)3/h7,9-12H,4-6,8H2,1-3H3
InChIKeyTUMPKLOCZGPCOR-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.34
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-3-hex-1-en-2-ylbenzene
CID 157480093
3-hept-1-en-2-ylphenol
CID 67877089
1-methyl-3-oct-1-en-2-ylbenzene
CID 102357647
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate
CID 68528619
1-propan-2-yl-2-prop-1-en-2-ylbenzene;1-propan-2-yl-3-prop-1-en-2-ylbenzene
CID 173398854
1-butyl-3-[1-(3-prop-1-en-2-ylphenyl)ethyl]urea
CID 144583154
CID 23527697
CID 23527697
butyl-bis(3-propan-2-ylphenyl)borane
CID 67927512
(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine
CID 171211984
1,3-bis(but-1-en-2-yl)benzene
CID 19692093
(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine
CID 23568826

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-en-2-yl-3-propan-2-ylbenzene?
The IUPAC name of 1-hex-1-en-2-yl-3-propan-2-ylbenzene (CID 160544423) is 1-hex-1-en-2-yl-3-propan-2-ylbenzene.
What is the SMILES notation for 1-hex-1-en-2-yl-3-propan-2-ylbenzene?
The canonical SMILES for 1-hex-1-en-2-yl-3-propan-2-ylbenzene is C=C(CCCC)c1cccc(C(C)C)c1.
What is the InChIKey of 1-hex-1-en-2-yl-3-propan-2-ylbenzene?
The InChIKey is TUMPKLOCZGPCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-5-6-8-13(4)15-10-7-9-14(11-15)12(2)3/h7,9-12H,4-6,8H2,1-3H3.
What are the key properties of 1-hex-1-en-2-yl-3-propan-2-ylbenzene?
1-hex-1-en-2-yl-3-propan-2-ylbenzene has a molecular weight of 202.34 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-en-2-yl-3-propan-2-ylbenzene is sourced from PubChem (CID 160544423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).