methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate

C11H18O5 — CID 135083856

IUPACmethyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate
SMILESC=C(C(=O)OC)C(C)OC(=O)OC(C)(C)C
InChIInChI=1S/C11H18O5/c1-7(9(12)14-6)8(2)15-10(13)16-11(3,4)5/h8H,1H2,2-6H3
InChIKeyQYOGNVVBTGKXAZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.06
Rot. Bonds3

About methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate

methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate (PubChem CID 135083856) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate.

Molecular Properties

Compound Namemethyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate
PubChem CID135083856
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Namemethyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate
SMILESC=C(C(=O)OC)C(C)OC(=O)OC(C)(C)C
InChIInChI=1S/C11H18O5/c1-7(9(12)14-6)8(2)15-10(13)16-11(3,4)5/h8H,1H2,2-6H3
InChIKeyQYOGNVVBTGKXAZ-UHFFFAOYSA-N
XLogP2.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate?
The IUPAC name of methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate (CID 135083856) is methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate.
What is the SMILES notation for methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate?
The canonical SMILES for methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate is C=C(C(=O)OC)C(C)OC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate?
The InChIKey is QYOGNVVBTGKXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-7(9(12)14-6)8(2)15-10(13)16-11(3,4)5/h8H,1H2,2-6H3.
What are the key properties of methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate?
methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate has a molecular weight of 230.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate is sourced from PubChem (CID 135083856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).