4,5-dimethylhepta-1,5-dienylbenzene

C15H20 — CID 123392853

IUPAC4,5-dimethylhepta-1,5-dienylbenzene
SMILESCC=C(C)C(C)CC=Cc1ccccc1
InChIInChI=1S/C15H20/c1-4-13(2)14(3)9-8-12-15-10-6-5-7-11-15/h4-8,10-12,14H,9H2,1-3H3
InChIKeyLHBNIOOKRHGNCF-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.69
Rot. Bonds4

About 4,5-dimethylhepta-1,5-dienylbenzene

4,5-dimethylhepta-1,5-dienylbenzene (PubChem CID 123392853) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4,5-dimethylhepta-1,5-dienylbenzene.

Molecular Properties

Compound Name4,5-dimethylhepta-1,5-dienylbenzene
PubChem CID123392853
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name4,5-dimethylhepta-1,5-dienylbenzene
SMILESCC=C(C)C(C)CC=Cc1ccccc1
InChIInChI=1S/C15H20/c1-4-13(2)14(3)9-8-12-15-10-6-5-7-11-15/h4-8,10-12,14H,9H2,1-3H3
InChIKeyLHBNIOOKRHGNCF-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.69
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

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CID 66808272
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[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
(1E,5E)-1-phenylhepta-1,5-dien-4-ol
CID 100975516
[(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene
CID 175723807
3-ethyl-6-phenylhex-5-en-2-one
CID 76864530
trihydroxy(3-phenylprop-2-enyl)phosphanium
CID 70142410
(E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one
CID 129208127
5-phenylpent-4-en-2-yl carbamate
CID 175428401
(E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine
CID 59058683
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylhepta-1,5-dienylbenzene?
The IUPAC name of 4,5-dimethylhepta-1,5-dienylbenzene (CID 123392853) is 4,5-dimethylhepta-1,5-dienylbenzene.
What is the SMILES notation for 4,5-dimethylhepta-1,5-dienylbenzene?
The canonical SMILES for 4,5-dimethylhepta-1,5-dienylbenzene is CC=C(C)C(C)CC=Cc1ccccc1.
What is the InChIKey of 4,5-dimethylhepta-1,5-dienylbenzene?
The InChIKey is LHBNIOOKRHGNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-4-13(2)14(3)9-8-12-15-10-6-5-7-11-15/h4-8,10-12,14H,9H2,1-3H3.
What are the key properties of 4,5-dimethylhepta-1,5-dienylbenzene?
4,5-dimethylhepta-1,5-dienylbenzene has a molecular weight of 200.32 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylhepta-1,5-dienylbenzene is sourced from PubChem (CID 123392853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).