methyl (2Z)-4-methylpenta-2,4-dienoate

C7H10O2 — CID 13426368

IUPACmethyl (2Z)-4-methylpenta-2,4-dienoate
SMILESC=C(C)/C=C\C(=O)OC
InChIInChI=1S/C7H10O2/c1-6(2)4-5-7(8)9-3/h4-5H,1H2,2-3H3/b5-4-
InChIKeyXYZYPOYRTHTPKC-PLNGDYQASA-N
MW126.15 g/mol
LogP1.29
Rot. Bonds2

About methyl (2Z)-4-methylpenta-2,4-dienoate

methyl (2Z)-4-methylpenta-2,4-dienoate (PubChem CID 13426368) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is methyl (2Z)-4-methylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z)-4-methylpenta-2,4-dienoate
PubChem CID13426368
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namemethyl (2Z)-4-methylpenta-2,4-dienoate
SMILESC=C(C)/C=C\C(=O)OC
InChIInChI=1S/C7H10O2/c1-6(2)4-5-7(8)9-3/h4-5H,1H2,2-3H3/b5-4-
InChIKeyXYZYPOYRTHTPKC-PLNGDYQASA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.29
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

Bixin
CID 5281226
Methyl sorbate
CID 5323650
Methyl 2,4-decadienoate, (2E,4Z)-
CID 6436336
Methyl 2-hexenoate
CID 61310
Methyl 2-hexenoate, (2E)-
CID 5364409
1-Methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-2,4,6,8,10,12,14,16,18-eicosanonaenedioate
CID 6376436
Ethyl pent-2-enoate
CID 102263
Ethyl 2,4,7-decatrienoate
CID 3018771
2-Hexenoic acid, 2-methyl-, methyl ester, (2E)-
CID 5364816
2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, dimethyl ester, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-
CID 14413719
Methyl 4-methyl-2-pentenoate
CID 5362843
Methyl 2-pentenoate
CID 5364718

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-4-methylpenta-2,4-dienoate?
The IUPAC name of methyl (2Z)-4-methylpenta-2,4-dienoate (CID 13426368) is methyl (2Z)-4-methylpenta-2,4-dienoate.
What is the SMILES notation for methyl (2Z)-4-methylpenta-2,4-dienoate?
The canonical SMILES for methyl (2Z)-4-methylpenta-2,4-dienoate is C=C(C)/C=C\C(=O)OC.
What is the InChIKey of methyl (2Z)-4-methylpenta-2,4-dienoate?
The InChIKey is XYZYPOYRTHTPKC-PLNGDYQASA-N. The full InChI is InChI=1S/C7H10O2/c1-6(2)4-5-7(8)9-3/h4-5H,1H2,2-3H3/b5-4-.
What are the key properties of methyl (2Z)-4-methylpenta-2,4-dienoate?
methyl (2Z)-4-methylpenta-2,4-dienoate has a molecular weight of 126.15 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-4-methylpenta-2,4-dienoate is sourced from PubChem (CID 13426368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).