(2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate

C16H26O7 — CID 87216214

IUPAC(2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate
SMILESCOC(C=C(C)C)(OC)C(=O)OC(=O)C(C=C(C)C)(OC)OC
InChIInChI=1S/C16H26O7/c1-11(2)9-15(19-5,20-6)13(17)23-14(18)16(21-7,22-8)10-12(3)4/h9-10H,1-8H3
InChIKeyNVFJEWVXTXJXBY-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.97
Rot. Bonds8

About (2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate

(2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate (PubChem CID 87216214) has the molecular formula C16H26O7 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate.

Molecular Properties

Compound Name(2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate
PubChem CID87216214
Molecular FormulaC16H26O7
Molecular Weight330.38 g/mol
Exact Mass330.17
IUPAC Name(2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate
SMILESCOC(C=C(C)C)(OC)C(=O)OC(=O)C(C=C(C)C)(OC)OC
InChIInChI=1S/C16H26O7/c1-11(2)9-15(19-5,20-6)13(17)23-14(18)16(21-7,22-8)10-12(3)4/h9-10H,1-8H3
InChIKeyNVFJEWVXTXJXBY-UHFFFAOYSA-N
XLogP1.97
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate?
The IUPAC name of (2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate (CID 87216214) is (2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate.
What is the SMILES notation for (2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate?
The canonical SMILES for (2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate is COC(C=C(C)C)(OC)C(=O)OC(=O)C(C=C(C)C)(OC)OC.
What is the InChIKey of (2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate?
The InChIKey is NVFJEWVXTXJXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O7/c1-11(2)9-15(19-5,20-6)13(17)23-14(18)16(21-7,22-8)10-12(3)4/h9-10H,1-8H3.
What are the key properties of (2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate?
(2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate has a molecular weight of 330.38 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethoxy-4-methylpent-3-enoyl) 2,2-dimethoxy-4-methylpent-3-enoate is sourced from PubChem (CID 87216214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).