(Z)-4-methoxy-4-methylpent-2-enoic acid

C7H12O3 — CID 175756379

IUPAC(Z)-4-methoxy-4-methylpent-2-enoic acid
SMILESCOC(C)(C)/C=C\C(=O)O
InChIInChI=1S/C7H12O3/c1-7(2,10-3)5-4-6(8)9/h4-5H,1-3H3,(H,8,9)/b5-4-
InChIKeyPCNMYQJDWGFEDE-PLNGDYQASA-N
MW144.17 g/mol
LogP1.05
Rot. Bonds3

About (Z)-4-methoxy-4-methylpent-2-enoic acid

(Z)-4-methoxy-4-methylpent-2-enoic acid (PubChem CID 175756379) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (Z)-4-methoxy-4-methylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-methoxy-4-methylpent-2-enoic acid
PubChem CID175756379
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(Z)-4-methoxy-4-methylpent-2-enoic acid
SMILESCOC(C)(C)/C=C\C(=O)O
InChIInChI=1S/C7H12O3/c1-7(2,10-3)5-4-6(8)9/h4-5H,1-3H3,(H,8,9)/b5-4-
InChIKeyPCNMYQJDWGFEDE-PLNGDYQASA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-4-methylpent-2-enoic acid?
The IUPAC name of (Z)-4-methoxy-4-methylpent-2-enoic acid (CID 175756379) is (Z)-4-methoxy-4-methylpent-2-enoic acid.
What is the SMILES notation for (Z)-4-methoxy-4-methylpent-2-enoic acid?
The canonical SMILES for (Z)-4-methoxy-4-methylpent-2-enoic acid is COC(C)(C)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-methoxy-4-methylpent-2-enoic acid?
The InChIKey is PCNMYQJDWGFEDE-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12O3/c1-7(2,10-3)5-4-6(8)9/h4-5H,1-3H3,(H,8,9)/b5-4-.
What are the key properties of (Z)-4-methoxy-4-methylpent-2-enoic acid?
(Z)-4-methoxy-4-methylpent-2-enoic acid has a molecular weight of 144.17 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-4-methylpent-2-enoic acid is sourced from PubChem (CID 175756379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).