1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene

C17H24 — CID 173408887

IUPAC1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene
SMILESC=CC(C)=C(CCCC)c1ccccc1CC
InChIInChI=1S/C17H24/c1-5-8-12-16(14(4)6-2)17-13-10-9-11-15(17)7-3/h6,9-11,13H,2,5,7-8,12H2,1,3-4H3
InChIKeyIGFCNLBWRXKSGS-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.40
Rot. Bonds6

About 1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene

1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene (PubChem CID 173408887) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene.

Molecular Properties

Compound Name1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene
PubChem CID173408887
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene
SMILESC=CC(C)=C(CCCC)c1ccccc1CC
InChIInChI=1S/C17H24/c1-5-8-12-16(14(4)6-2)17-13-10-9-11-15(17)7-3/h6,9-11,13H,2,5,7-8,12H2,1,3-4H3
InChIKeyIGFCNLBWRXKSGS-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-ethyl-2-pent-1-en-2-ylbenzene
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CID 90187161
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N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine
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1-hex-1-en-2-yl-2-methylbenzene
CID 10535245
1-methyl-2-[(3E)-3-methylhepta-1,3,6-trien-4-yl]benzene
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phenyl 2-cyano-3-(2-ethylphenyl)non-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene?
The IUPAC name of 1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene (CID 173408887) is 1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene.
What is the SMILES notation for 1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene?
The canonical SMILES for 1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene is C=CC(C)=C(CCCC)c1ccccc1CC.
What is the InChIKey of 1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene?
The InChIKey is IGFCNLBWRXKSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-5-8-12-16(14(4)6-2)17-13-10-9-11-15(17)7-3/h6,9-11,13H,2,5,7-8,12H2,1,3-4H3.
What are the key properties of 1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene?
1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene has a molecular weight of 228.38 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene is sourced from PubChem (CID 173408887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).