4-ethenyl-5-methylhepta-2,3,5-triene

C10H14 — CID 123352008

IUPAC4-ethenyl-5-methylhepta-2,3,5-triene
SMILESC=CC(=C=CC)C(C)=CC
InChIInChI=1S/C10H14/c1-5-8-10(7-3)9(4)6-2/h5-7H,3H2,1-2,4H3
InChIKeyCFSLMPMREAUGIB-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.24
Rot. Bonds2

About 4-ethenyl-5-methylhepta-2,3,5-triene

4-ethenyl-5-methylhepta-2,3,5-triene (PubChem CID 123352008) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 4-ethenyl-5-methylhepta-2,3,5-triene.

Molecular Properties

Compound Name4-ethenyl-5-methylhepta-2,3,5-triene
PubChem CID123352008
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name4-ethenyl-5-methylhepta-2,3,5-triene
SMILESC=CC(=C=CC)C(C)=CC
InChIInChI=1S/C10H14/c1-5-8-10(7-3)9(4)6-2/h5-7H,3H2,1-2,4H3
InChIKeyCFSLMPMREAUGIB-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.24
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

4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene
CID 123782366
hexa-1,3,4-trien-3-yl acetate
CID 174380602
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
2-methylbut-2-enoic acid;prop-2-enenitrile;prop-2-enoic acid
CID 173419486
1-N,1-N,1-N',1-N'-tetramethylbuta-1,2-diene-1,1-diamine
CID 175244405
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
2,4-dimethylhepta-1,4,5-triene
CID 123977056
3-ethenylhexa-3,4-dienoic acid
CID 89179063
4-ethyl-5-methylnona-2,3,5,7-tetraene
CID 173264693
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
(3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene
CID 143832543
bis(prop-1-ene);prop-2-enoic acid
CID 118194844

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-methylhepta-2,3,5-triene?
The IUPAC name of 4-ethenyl-5-methylhepta-2,3,5-triene (CID 123352008) is 4-ethenyl-5-methylhepta-2,3,5-triene.
What is the SMILES notation for 4-ethenyl-5-methylhepta-2,3,5-triene?
The canonical SMILES for 4-ethenyl-5-methylhepta-2,3,5-triene is C=CC(=C=CC)C(C)=CC.
What is the InChIKey of 4-ethenyl-5-methylhepta-2,3,5-triene?
The InChIKey is CFSLMPMREAUGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-5-8-10(7-3)9(4)6-2/h5-7H,3H2,1-2,4H3.
What are the key properties of 4-ethenyl-5-methylhepta-2,3,5-triene?
4-ethenyl-5-methylhepta-2,3,5-triene has a molecular weight of 134.22 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-methylhepta-2,3,5-triene is sourced from PubChem (CID 123352008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).