2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate

C9H14O5 — CID 20771569

IUPAC2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)OC(=O)OC
InChIInChI=1S/C9H14O5/c1-6(2)7(10)13-9(3,4)14-8(11)12-5/h1H2,2-5H3
InChIKeyAZDALOQNSRWSOC-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.62
Rot. Bonds3

About 2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate

2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate (PubChem CID 20771569) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate
PubChem CID20771569
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)OC(=O)OC
InChIInChI=1S/C9H14O5/c1-6(2)7(10)13-9(3,4)14-8(11)12-5/h1H2,2-5H3
InChIKeyAZDALOQNSRWSOC-UHFFFAOYSA-N
XLogP1.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate (CID 20771569) is 2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)OC(=O)OC.
What is the InChIKey of 2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate?
The InChIKey is AZDALOQNSRWSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-6(2)7(10)13-9(3,4)14-8(11)12-5/h1H2,2-5H3.
What are the key properties of 2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate?
2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate has a molecular weight of 202.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyloxypropan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 20771569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).