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

C14H24O6 — CID 20643764

IUPAC2-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC(=O)OC(C)(C)COC
InChIInChI=1S/C14H24O6/c1-11(2)13(16)19-9-8-18-7-6-12(15)20-14(3,4)10-17-5/h1,6-10H2,2-5H3
InChIKeyPAHCGAGDZZWRTN-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.48
Rot. Bonds10

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

2-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate (PubChem CID 20643764) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate
PubChem CID20643764
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC(=O)OC(C)(C)COC
InChIInChI=1S/C14H24O6/c1-11(2)13(16)19-9-8-18-7-6-12(15)20-14(3,4)10-17-5/h1,6-10H2,2-5H3
InChIKeyPAHCGAGDZZWRTN-UHFFFAOYSA-N
XLogP1.48
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate (CID 20643764) is 2-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCC(=O)OC(C)(C)COC.
What is the InChIKey of 2-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is PAHCGAGDZZWRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-11(2)13(16)19-9-8-18-7-6-12(15)20-14(3,4)10-17-5/h1,6-10H2,2-5H3.
What are the key properties of 2-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate?
2-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 288.34 g/mol, XLogP of 1.48, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20643764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).