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

C12H20O6 — CID 14633515

IUPACdimethyl 2-methyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]butanedioate
SMILESCOC(=O)CC(C)(CC1(C)OCCO1)C(=O)OC
InChIInChI=1S/C12H20O6/c1-11(10(14)16-4,7-9(13)15-3)8-12(2)17-5-6-18-12/h5-8H2,1-4H3
InChIKeyMHRIPFVWYQGQGJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.88
Rot. Bonds5

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

dimethyl 2-methyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]butanedioate (PubChem CID 14633515) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is dimethyl 2-methyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]butanedioate.

Molecular Properties

Compound Namedimethyl 2-methyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]butanedioate
PubChem CID14633515
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Namedimethyl 2-methyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]butanedioate
SMILESCOC(=O)CC(C)(CC1(C)OCCO1)C(=O)OC
InChIInChI=1S/C12H20O6/c1-11(10(14)16-4,7-9(13)15-3)8-12(2)17-5-6-18-12/h5-8H2,1-4H3
InChIKeyMHRIPFVWYQGQGJ-UHFFFAOYSA-N
XLogP0.88
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]butanedioate?
The IUPAC name of dimethyl 2-methyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]butanedioate (CID 14633515) is dimethyl 2-methyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]butanedioate.
What is the SMILES notation for dimethyl 2-methyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]butanedioate?
The canonical SMILES for dimethyl 2-methyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]butanedioate is COC(=O)CC(C)(CC1(C)OCCO1)C(=O)OC.
What is the InChIKey of dimethyl 2-methyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]butanedioate?
The InChIKey is MHRIPFVWYQGQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c1-11(10(14)16-4,7-9(13)15-3)8-12(2)17-5-6-18-12/h5-8H2,1-4H3.
What are the key properties of dimethyl 2-methyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]butanedioate?
dimethyl 2-methyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]butanedioate has a molecular weight of 260.29 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]butanedioate is sourced from PubChem (CID 14633515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).