methyl 3,3-dimethoxyprop-2-enoate

C6H10O4 — CID 15660510

IUPACmethyl 3,3-dimethoxyprop-2-enoate
SMILESCOC(=O)C=C(OC)OC
InChIInChI=1S/C6H10O4/c1-8-5(7)4-6(9-2)10-3/h4H,1-3H3
InChIKeyQWTWSXDDJPKDBX-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.29
Rot. Bonds3

About methyl 3,3-dimethoxyprop-2-enoate

methyl 3,3-dimethoxyprop-2-enoate (PubChem CID 15660510) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is methyl 3,3-dimethoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl 3,3-dimethoxyprop-2-enoate
PubChem CID15660510
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Namemethyl 3,3-dimethoxyprop-2-enoate
SMILESCOC(=O)C=C(OC)OC
InChIInChI=1S/C6H10O4/c1-8-5(7)4-6(9-2)10-3/h4H,1-3H3
InChIKeyQWTWSXDDJPKDBX-UHFFFAOYSA-N
XLogP0.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Propenoic acid, 3,3-diethoxy-, ethyl ester
CID 169388
Dimethyl penta-2,3-dienedioate
CID 637810
sodium (Z)-1,3-diethoxy-3-oxoprop-1-en-1-olate
CID 5478996
sodium (E)-1,3-diethoxy-3-oxoprop-1-en-1-olate
CID 637940
1,3-Diethoxy-3-oxoprop-1-en-1-olate
CID 5062832
methyl (E)-3-hydroxy-3-methoxyprop-2-enoate
CID 5375963
(E)-1,3-diethoxy-3-oxoprop-1-en-1-olate
CID 6261095
CID 13024898
CID 13024898
6-Methoxy-2,2-dimethyl-1,3-dioxin-4-one
CID 15327225
(E)-1,3-dimethoxy-3-oxoprop-1-en-1-olate
CID 21626076
sodium (Z)-1,3-dimethoxy-3-oxoprop-1-en-1-olate
CID 23665223
Dimethylsodiomalonate
CID 23678653

Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethoxyprop-2-enoate?
The IUPAC name of methyl 3,3-dimethoxyprop-2-enoate (CID 15660510) is methyl 3,3-dimethoxyprop-2-enoate.
What is the SMILES notation for methyl 3,3-dimethoxyprop-2-enoate?
The canonical SMILES for methyl 3,3-dimethoxyprop-2-enoate is COC(=O)C=C(OC)OC.
What is the InChIKey of methyl 3,3-dimethoxyprop-2-enoate?
The InChIKey is QWTWSXDDJPKDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-8-5(7)4-6(9-2)10-3/h4H,1-3H3.
What are the key properties of methyl 3,3-dimethoxyprop-2-enoate?
methyl 3,3-dimethoxyprop-2-enoate has a molecular weight of 146.14 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dimethoxyprop-2-enoate is sourced from PubChem (CID 15660510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).