methyl 6-phenylhexa-3,4-dienoate

C13H14O2 — CID 10488318

IUPACmethyl 6-phenylhexa-3,4-dienoate
SMILESCOC(=O)CC=C=CCc1ccccc1
InChIInChI=1S/C13H14O2/c1-15-13(14)11-7-3-6-10-12-8-4-2-5-9-12/h2,4-9H,10-11H2,1H3
InChIKeyFOBCVPOBDOSFOZ-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.50
Rot. Bonds4

About methyl 6-phenylhexa-3,4-dienoate

methyl 6-phenylhexa-3,4-dienoate (PubChem CID 10488318) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 6-phenylhexa-3,4-dienoate.

Molecular Properties

Compound Namemethyl 6-phenylhexa-3,4-dienoate
PubChem CID10488318
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Namemethyl 6-phenylhexa-3,4-dienoate
SMILESCOC(=O)CC=C=CCc1ccccc1
InChIInChI=1S/C13H14O2/c1-15-13(14)11-7-3-6-10-12-8-4-2-5-9-12/h2,4-9H,10-11H2,1H3
InChIKeyFOBCVPOBDOSFOZ-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 6-phenylhexa-3,4-dienoate?
The IUPAC name of methyl 6-phenylhexa-3,4-dienoate (CID 10488318) is methyl 6-phenylhexa-3,4-dienoate.
What is the SMILES notation for methyl 6-phenylhexa-3,4-dienoate?
The canonical SMILES for methyl 6-phenylhexa-3,4-dienoate is COC(=O)CC=C=CCc1ccccc1.
What is the InChIKey of methyl 6-phenylhexa-3,4-dienoate?
The InChIKey is FOBCVPOBDOSFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-15-13(14)11-7-3-6-10-12-8-4-2-5-9-12/h2,4-9H,10-11H2,1H3.
What are the key properties of methyl 6-phenylhexa-3,4-dienoate?
methyl 6-phenylhexa-3,4-dienoate has a molecular weight of 202.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-phenylhexa-3,4-dienoate is sourced from PubChem (CID 10488318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).