dimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate

C10H16O6 — CID 58865952

IUPACdimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate
SMILESCOC(=O)C(CC1(C)OCCO1)C(=O)OC
InChIInChI=1S/C10H16O6/c1-10(15-4-5-16-10)6-7(8(11)13-2)9(12)14-3/h7H,4-6H2,1-3H3
InChIKeyXIBWRCMYFHXVGS-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.10
Rot. Bonds4

About dimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate

dimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate (PubChem CID 58865952) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is dimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate
PubChem CID58865952
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Namedimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate
SMILESCOC(=O)C(CC1(C)OCCO1)C(=O)OC
InChIInChI=1S/C10H16O6/c1-10(15-4-5-16-10)6-7(8(11)13-2)9(12)14-3/h7H,4-6H2,1-3H3
InChIKeyXIBWRCMYFHXVGS-UHFFFAOYSA-N
XLogP0.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate?
The IUPAC name of dimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate (CID 58865952) is dimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate?
The canonical SMILES for dimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate is COC(=O)C(CC1(C)OCCO1)C(=O)OC.
What is the InChIKey of dimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate?
The InChIKey is XIBWRCMYFHXVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-10(15-4-5-16-10)6-7(8(11)13-2)9(12)14-3/h7H,4-6H2,1-3H3.
What are the key properties of dimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate?
dimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate has a molecular weight of 232.23 g/mol, XLogP of 0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate is sourced from PubChem (CID 58865952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).