5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid

C11H20O4 — CID 87365420

IUPAC5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid
SMILESCOCC(C)C(=CC(=O)O)C(C)COC
InChIInChI=1S/C11H20O4/c1-8(6-14-3)10(5-11(12)13)9(2)7-15-4/h5,8-9H,6-7H2,1-4H3,(H,12,13)
InChIKeyPPENFQBBEBSDGE-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.56
Rot. Bonds7

About 5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid

5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid (PubChem CID 87365420) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid.

Molecular Properties

Compound Name5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid
PubChem CID87365420
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid
SMILESCOCC(C)C(=CC(=O)O)C(C)COC
InChIInChI=1S/C11H20O4/c1-8(6-14-3)10(5-11(12)13)9(2)7-15-4/h5,8-9H,6-7H2,1-4H3,(H,12,13)
InChIKeyPPENFQBBEBSDGE-UHFFFAOYSA-N
XLogP1.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid?
The IUPAC name of 5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid (CID 87365420) is 5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid.
What is the SMILES notation for 5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid?
The canonical SMILES for 5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid is COCC(C)C(=CC(=O)O)C(C)COC.
What is the InChIKey of 5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid?
The InChIKey is PPENFQBBEBSDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-8(6-14-3)10(5-11(12)13)9(2)7-15-4/h5,8-9H,6-7H2,1-4H3,(H,12,13).
What are the key properties of 5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid?
5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(1-methoxypropan-2-yl)-4-methylpent-2-enoic acid is sourced from PubChem (CID 87365420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).