2,6-dimethylhepta-4,5-dien-2-ylbenzene

C15H20 — CID 132598194

IUPAC2,6-dimethylhepta-4,5-dien-2-ylbenzene
SMILESCC(C)=C=CCC(C)(C)c1ccccc1
InChIInChI=1S/C15H20/c1-13(2)9-8-12-15(3,4)14-10-6-5-7-11-14/h5-8,10-11H,12H2,1-4H3
InChIKeyOGSJWKFNUWHFLJ-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.48
Rot. Bonds3

About 2,6-dimethylhepta-4,5-dien-2-ylbenzene

2,6-dimethylhepta-4,5-dien-2-ylbenzene (PubChem CID 132598194) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,6-dimethylhepta-4,5-dien-2-ylbenzene.

Molecular Properties

Compound Name2,6-dimethylhepta-4,5-dien-2-ylbenzene
PubChem CID132598194
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name2,6-dimethylhepta-4,5-dien-2-ylbenzene
SMILESCC(C)=C=CCC(C)(C)c1ccccc1
InChIInChI=1S/C15H20/c1-13(2)9-8-12-15(3,4)14-10-6-5-7-11-14/h5-8,10-11H,12H2,1-4H3
InChIKeyOGSJWKFNUWHFLJ-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(8-fluoro-2-methylocta-4,5-dien-2-yl)benzene
CID 102169993
[(E)-2-methyl-5-phenylpent-4-en-2-yl]benzene
CID 5370792
(Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol
CID 177408312
(Z)-2-methyl-5-phenylhex-2-ene-1,5-diol
CID 101161095
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
CID 164800464
iodo-tris(2-methyl-2-phenylpropyl)stannane
CID 12970290
N-tert-butyl-1-deuterioformamide;1-deuterio-3-methyl-3-phenylbutan-1-one
CID 159885537
Trineophyltin hydride
CID 6327208
CID 158792811
CID 158792811
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol)
CID 18688279

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylhepta-4,5-dien-2-ylbenzene?
The IUPAC name of 2,6-dimethylhepta-4,5-dien-2-ylbenzene (CID 132598194) is 2,6-dimethylhepta-4,5-dien-2-ylbenzene.
What is the SMILES notation for 2,6-dimethylhepta-4,5-dien-2-ylbenzene?
The canonical SMILES for 2,6-dimethylhepta-4,5-dien-2-ylbenzene is CC(C)=C=CCC(C)(C)c1ccccc1.
What is the InChIKey of 2,6-dimethylhepta-4,5-dien-2-ylbenzene?
The InChIKey is OGSJWKFNUWHFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-13(2)9-8-12-15(3,4)14-10-6-5-7-11-14/h5-8,10-11H,12H2,1-4H3.
What are the key properties of 2,6-dimethylhepta-4,5-dien-2-ylbenzene?
2,6-dimethylhepta-4,5-dien-2-ylbenzene has a molecular weight of 200.32 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylhepta-4,5-dien-2-ylbenzene is sourced from PubChem (CID 132598194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).