methyl 2-prop-1-enylpenta-2,4-dienoate

C9H12O2 — CID 123933985

IUPACmethyl 2-prop-1-enylpenta-2,4-dienoate
SMILESC=CC=C(C=CC)C(=O)OC
InChIInChI=1S/C9H12O2/c1-4-6-8(7-5-2)9(10)11-3/h4-7H,1H2,2-3H3
InChIKeyLUOFNOVPIWSURM-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.85
Rot. Bonds3

About methyl 2-prop-1-enylpenta-2,4-dienoate

methyl 2-prop-1-enylpenta-2,4-dienoate (PubChem CID 123933985) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is methyl 2-prop-1-enylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl 2-prop-1-enylpenta-2,4-dienoate
PubChem CID123933985
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namemethyl 2-prop-1-enylpenta-2,4-dienoate
SMILESC=CC=C(C=CC)C(=O)OC
InChIInChI=1S/C9H12O2/c1-4-6-8(7-5-2)9(10)11-3/h4-7H,1H2,2-3H3
InChIKeyLUOFNOVPIWSURM-UHFFFAOYSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
CID 143172272
methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate
CID 175637730
(2R,3R)-2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxy-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoyl]oxybutanedioic acid
CID 146383095
(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 130219587
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide
CID 143851447
[4-(2-methoxy-2-oxoethyl)phenyl]methyl (2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoate
CID 145314432
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678
methyl (2E)-2-[(E)-prop-1-enyl]trideca-2,12-dienoate
CID 134979438
[4-[4-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyphenoxy]phenyl] (2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoate
CID 129259222
(2S,3S)-2-[(2E,3Z)-2-ethylidenehexa-3,5-dienoyl]oxy-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoyl]oxybutanedioic acid
CID 146383093
ethane;ethyl (4E)-3-oxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienoate
CID 143439459
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886

Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-1-enylpenta-2,4-dienoate?
The IUPAC name of methyl 2-prop-1-enylpenta-2,4-dienoate (CID 123933985) is methyl 2-prop-1-enylpenta-2,4-dienoate.
What is the SMILES notation for methyl 2-prop-1-enylpenta-2,4-dienoate?
The canonical SMILES for methyl 2-prop-1-enylpenta-2,4-dienoate is C=CC=C(C=CC)C(=O)OC.
What is the InChIKey of methyl 2-prop-1-enylpenta-2,4-dienoate?
The InChIKey is LUOFNOVPIWSURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-6-8(7-5-2)9(10)11-3/h4-7H,1H2,2-3H3.
What are the key properties of methyl 2-prop-1-enylpenta-2,4-dienoate?
methyl 2-prop-1-enylpenta-2,4-dienoate has a molecular weight of 152.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-1-enylpenta-2,4-dienoate is sourced from PubChem (CID 123933985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).