2-methylocta-2,3-dienylbenzene

C15H20 — CID 42604070

IUPAC2-methylocta-2,3-dienylbenzene
SMILESCCCCC=C=C(C)Cc1ccccc1
InChIInChI=1S/C15H20/c1-3-4-5-7-10-14(2)13-15-11-8-6-9-12-15/h6-9,11-12H,3-5,13H2,1-2H3
InChIKeyQWYAQKUUBKWYIZ-UHFFFAOYSA-N
MW200.33 g/mol
LogP4.52
Rot. Bonds5

About 2-methylocta-2,3-dienylbenzene

2-methylocta-2,3-dienylbenzene (PubChem CID 42604070) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-methylocta-2,3-dienylbenzene.

Molecular Properties

Compound Name2-methylocta-2,3-dienylbenzene
PubChem CID42604070
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name2-methylocta-2,3-dienylbenzene
SMILESCCCCC=C=C(C)Cc1ccccc1
InChIInChI=1S/C15H20/c1-3-4-5-7-10-14(2)13-15-11-8-6-9-12-15/h6-9,11-12H,3-5,13H2,1-2H3
InChIKeyQWYAQKUUBKWYIZ-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-benzylocta-2,3-dienoate
CID 11701627
1-phenylnona-3,4-dien-2-one
CID 71537415
1-fluoronona-1,2-dienylbenzene
CID 174565883
methyl 4-methyl-5-phenylpenta-2,3-dienoate
CID 134919344
(5-benzyl-6-methylhepta-3,4,6-trienyl)benzene
CID 102158622
N-benzylocta-2,3-dienamide
CID 10998784
butylbenzene;hydroxylamine
CID 175142403
5-fluorohexa-3,4-dienylbenzene
CID 162374144
(E)-2-benzyloct-2-enal
CID 23267291
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
[(2Z)-2-decan-2-ylidenedodecyl]benzene
CID 91256023
2-(fluoromethylidene)hexylbenzene;silane
CID 161077647

Frequently Asked Questions

What is the IUPAC name of 2-methylocta-2,3-dienylbenzene?
The IUPAC name of 2-methylocta-2,3-dienylbenzene (CID 42604070) is 2-methylocta-2,3-dienylbenzene.
What is the SMILES notation for 2-methylocta-2,3-dienylbenzene?
The canonical SMILES for 2-methylocta-2,3-dienylbenzene is CCCCC=C=C(C)Cc1ccccc1.
What is the InChIKey of 2-methylocta-2,3-dienylbenzene?
The InChIKey is QWYAQKUUBKWYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-3-4-5-7-10-14(2)13-15-11-8-6-9-12-15/h6-9,11-12H,3-5,13H2,1-2H3.
What are the key properties of 2-methylocta-2,3-dienylbenzene?
2-methylocta-2,3-dienylbenzene has a molecular weight of 200.33 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylocta-2,3-dienylbenzene is sourced from PubChem (CID 42604070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).