1-methyl-2-octa-2,6-dienylbenzene

C15H20 — CID 123258139

IUPAC1-methyl-2-octa-2,6-dienylbenzene
SMILESCC=CCCC=CCc1ccccc1C
InChIInChI=1S/C15H20/c1-3-4-5-6-7-8-12-15-13-10-9-11-14(15)2/h3-4,7-11,13H,5-6,12H2,1-2H3
InChIKeyZXLPMJBTDOKGDE-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.45
Rot. Bonds5

About 1-methyl-2-octa-2,6-dienylbenzene

1-methyl-2-octa-2,6-dienylbenzene (PubChem CID 123258139) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-methyl-2-octa-2,6-dienylbenzene.

Molecular Properties

Compound Name1-methyl-2-octa-2,6-dienylbenzene
PubChem CID123258139
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name1-methyl-2-octa-2,6-dienylbenzene
SMILESCC=CCCC=CCc1ccccc1C
InChIInChI=1S/C15H20/c1-3-4-5-6-7-8-12-15-13-10-9-11-14(15)2/h3-4,7-11,13H,5-6,12H2,1-2H3
InChIKeyZXLPMJBTDOKGDE-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-[(E)-4-chlorobut-2-enyl]-2-methylbenzene
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1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
2-[(E)-but-2-enyl]benzenethiol
CID 21159908
1-hex-3-enyl-2-methylbenzene
CID 54009738
trimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane
CID 57072834
1-but-2-enyl-2-propylbenzene
CID 139617865
1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene
CID 59812345
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-octa-2,6-dienylbenzene?
The IUPAC name of 1-methyl-2-octa-2,6-dienylbenzene (CID 123258139) is 1-methyl-2-octa-2,6-dienylbenzene.
What is the SMILES notation for 1-methyl-2-octa-2,6-dienylbenzene?
The canonical SMILES for 1-methyl-2-octa-2,6-dienylbenzene is CC=CCCC=CCc1ccccc1C.
What is the InChIKey of 1-methyl-2-octa-2,6-dienylbenzene?
The InChIKey is ZXLPMJBTDOKGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-3-4-5-6-7-8-12-15-13-10-9-11-14(15)2/h3-4,7-11,13H,5-6,12H2,1-2H3.
What are the key properties of 1-methyl-2-octa-2,6-dienylbenzene?
1-methyl-2-octa-2,6-dienylbenzene has a molecular weight of 200.32 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-octa-2,6-dienylbenzene is sourced from PubChem (CID 123258139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).