methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate

C10H16O4 — CID 54185365

IUPACmethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate
SMILESC=C(CC1COC(C)(C)O1)C(=O)OC
InChIInChI=1S/C10H16O4/c1-7(9(11)12-4)5-8-6-13-10(2,3)14-8/h8H,1,5-6H2,2-4H3
InChIKeyPESPWGXPYXMQCH-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds3

About methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate

methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate (PubChem CID 54185365) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate
PubChem CID54185365
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate
SMILESC=C(CC1COC(C)(C)O1)C(=O)OC
InChIInChI=1S/C10H16O4/c1-7(9(11)12-4)5-8-6-13-10(2,3)14-8/h8H,1,5-6H2,2-4H3
InChIKeyPESPWGXPYXMQCH-UHFFFAOYSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate (CID 54185365) is methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate is C=C(CC1COC(C)(C)O1)C(=O)OC.
What is the InChIKey of methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate?
The InChIKey is PESPWGXPYXMQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-7(9(11)12-4)5-8-6-13-10(2,3)14-8/h8H,1,5-6H2,2-4H3.
What are the key properties of methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate?
methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate is sourced from PubChem (CID 54185365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).