[3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate

C15H24O7 — CID 20643762

IUPAC[3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)OCCC(=O)OC(C)(C)COC
InChIInChI=1S/C15H24O7/c1-11(2)14(18)21-9-6-12(16)20-8-7-13(17)22-15(3,4)10-19-5/h1,6-10H2,2-5H3
InChIKeyQOXMCKPCDOMUTJ-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.40
Rot. Bonds10

About [3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate

[3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate (PubChem CID 20643762) has the molecular formula C15H24O7 and a molecular weight of 316.35 g/mol. Its IUPAC name is [3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
PubChem CID20643762
Molecular FormulaC15H24O7
Molecular Weight316.35 g/mol
Exact Mass316.15
IUPAC Name[3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)OCCC(=O)OC(C)(C)COC
InChIInChI=1S/C15H24O7/c1-11(2)14(18)21-9-6-12(16)20-8-7-13(17)22-15(3,4)10-19-5/h1,6-10H2,2-5H3
InChIKeyQOXMCKPCDOMUTJ-UHFFFAOYSA-N
XLogP1.40
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-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 [3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate (CID 20643762) is [3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)OCCC(=O)OC(C)(C)COC.
What is the InChIKey of [3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The InChIKey is QOXMCKPCDOMUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O7/c1-11(2)14(18)21-9-6-12(16)20-8-7-13(17)22-15(3,4)10-19-5/h1,6-10H2,2-5H3.
What are the key properties of [3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate?
[3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate has a molecular weight of 316.35 g/mol, XLogP of 1.40, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20643762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).