(E)-3-methoxy-4-methylpent-2-enoic acid

C7H12O3 — CID 84762834

IUPAC(E)-3-methoxy-4-methylpent-2-enoic acid
SMILESCO/C(=C/C(=O)O)C(C)C
InChIInChI=1S/C7H12O3/c1-5(2)6(10-3)4-7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+
InChIKeyMCFJTDOOPBBGKP-GQCTYLIASA-N
MW144.17 g/mol
LogP1.26
Rot. Bonds3

About (E)-3-methoxy-4-methylpent-2-enoic acid

(E)-3-methoxy-4-methylpent-2-enoic acid (PubChem CID 84762834) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (E)-3-methoxy-4-methylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-3-methoxy-4-methylpent-2-enoic acid
PubChem CID84762834
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(E)-3-methoxy-4-methylpent-2-enoic acid
SMILESCO/C(=C/C(=O)O)C(C)C
InChIInChI=1S/C7H12O3/c1-5(2)6(10-3)4-7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+
InChIKeyMCFJTDOOPBBGKP-GQCTYLIASA-N
XLogP1.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-chloro-3-methoxypent-2-enoic acid
CID 87194712
(Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one
CID 163652264
3-methoxy-6-methylhept-2-enoic acid
CID 57199859
methyl (E)-4-bromo-3-methoxypent-2-enoate
CID 59977658
methyl (Z)-4-bromo-3-methoxypent-2-enoate
CID 23514441
5-methyl-3-(2-methylpropyl)hex-2-enoic acid
CID 21434156
3-amino-4-methoxy-4-oxobut-2-enoic acid
CID 149437355
3,3-di(propan-2-yloxy)prop-2-enoic acid
CID 151257258
methyl 4-methyl-3-phosphonooxypent-2-enoate
CID 154118688
2-methylpropanoic acid;ruthenium
CID 88674751
3-methoxypent-2-enedioic acid
CID 86011063
(Z)-3-methyl-4-oxo-4-propan-2-yloxybut-2-enoic acid
CID 139788321

Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-4-methylpent-2-enoic acid?
The IUPAC name of (E)-3-methoxy-4-methylpent-2-enoic acid (CID 84762834) is (E)-3-methoxy-4-methylpent-2-enoic acid.
What is the SMILES notation for (E)-3-methoxy-4-methylpent-2-enoic acid?
The canonical SMILES for (E)-3-methoxy-4-methylpent-2-enoic acid is CO/C(=C/C(=O)O)C(C)C.
What is the InChIKey of (E)-3-methoxy-4-methylpent-2-enoic acid?
The InChIKey is MCFJTDOOPBBGKP-GQCTYLIASA-N. The full InChI is InChI=1S/C7H12O3/c1-5(2)6(10-3)4-7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+.
What are the key properties of (E)-3-methoxy-4-methylpent-2-enoic acid?
(E)-3-methoxy-4-methylpent-2-enoic acid has a molecular weight of 144.17 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-4-methylpent-2-enoic acid is sourced from PubChem (CID 84762834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).