(4-methyl-2-propan-2-ylhex-1-enyl)benzene

C16H24 — CID 90737119

IUPAC(4-methyl-2-propan-2-ylhex-1-enyl)benzene
SMILESCCC(C)CC(=Cc1ccccc1)C(C)C
InChIInChI=1S/C16H24/c1-5-14(4)11-16(13(2)3)12-15-9-7-6-8-10-15/h6-10,12-14H,5,11H2,1-4H3
InChIKeyXWYUZTZYYSVSLI-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.16
Rot. Bonds5

About (4-methyl-2-propan-2-ylhex-1-enyl)benzene

(4-methyl-2-propan-2-ylhex-1-enyl)benzene (PubChem CID 90737119) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is (4-methyl-2-propan-2-ylhex-1-enyl)benzene.

Molecular Properties

Compound Name(4-methyl-2-propan-2-ylhex-1-enyl)benzene
PubChem CID90737119
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name(4-methyl-2-propan-2-ylhex-1-enyl)benzene
SMILESCCC(C)CC(=Cc1ccccc1)C(C)C
InChIInChI=1S/C16H24/c1-5-14(4)11-16(13(2)3)12-15-9-7-6-8-10-15/h6-10,12-14H,5,11H2,1-4H3
InChIKeyXWYUZTZYYSVSLI-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(E)-2,3,5-trimethylhept-1-enyl]benzene
CID 102271069
(3E)-3-benzylidenepentan-2-ol
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2-benzylidene-3-methylpentan-1-amine
CID 154441203
[(2E)-2-benzylidene-3-methylpentyl]-triethylsilane
CID 102146594
(4E)-4-benzylidene-3-ethylhex-1-en-2-amine
CID 138711424
(2-chloro-4-methylpent-1-enyl)benzene
CID 175414445
(E,5R)-2-chloro-5-hydroxy-1-phenylhept-1-en-3-one
CID 177395077
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
(E,5R)-2-chloro-5-hydroxy-1-phenylhex-1-en-3-one
CID 177494655
(Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride
CID 170888527
(5-benzylidene-6-methylhept-3-en-3-yl)benzene
CID 173457168
ethane;(3S)-3-methylpentanamide;1-phenylethanone
CID 163293272

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propan-2-ylhex-1-enyl)benzene?
The IUPAC name of (4-methyl-2-propan-2-ylhex-1-enyl)benzene (CID 90737119) is (4-methyl-2-propan-2-ylhex-1-enyl)benzene.
What is the SMILES notation for (4-methyl-2-propan-2-ylhex-1-enyl)benzene?
The canonical SMILES for (4-methyl-2-propan-2-ylhex-1-enyl)benzene is CCC(C)CC(=Cc1ccccc1)C(C)C.
What is the InChIKey of (4-methyl-2-propan-2-ylhex-1-enyl)benzene?
The InChIKey is XWYUZTZYYSVSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-5-14(4)11-16(13(2)3)12-15-9-7-6-8-10-15/h6-10,12-14H,5,11H2,1-4H3.
What are the key properties of (4-methyl-2-propan-2-ylhex-1-enyl)benzene?
(4-methyl-2-propan-2-ylhex-1-enyl)benzene has a molecular weight of 216.37 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-propan-2-ylhex-1-enyl)benzene is sourced from PubChem (CID 90737119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).