dimethyl 2,2-dimethoxy-4-methylpentanedioate

C10H18O6 — CID 11379303

IUPACdimethyl 2,2-dimethoxy-4-methylpentanedioate
SMILESCOC(=O)C(C)CC(OC)(OC)C(=O)OC
InChIInChI=1S/C10H18O6/c1-7(8(11)13-2)6-10(15-4,16-5)9(12)14-3/h7H,6H2,1-5H3
InChIKeyNHRZHYXGCLZEMR-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.35
Rot. Bonds6

About dimethyl 2,2-dimethoxy-4-methylpentanedioate

dimethyl 2,2-dimethoxy-4-methylpentanedioate (PubChem CID 11379303) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is dimethyl 2,2-dimethoxy-4-methylpentanedioate.

Molecular Properties

Compound Namedimethyl 2,2-dimethoxy-4-methylpentanedioate
PubChem CID11379303
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Namedimethyl 2,2-dimethoxy-4-methylpentanedioate
SMILESCOC(=O)C(C)CC(OC)(OC)C(=O)OC
InChIInChI=1S/C10H18O6/c1-7(8(11)13-2)6-10(15-4,16-5)9(12)14-3/h7H,6H2,1-5H3
InChIKeyNHRZHYXGCLZEMR-UHFFFAOYSA-N
XLogP0.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 4-methoxy-2,4-dimethylpentanoate
CID 22982800
methyl (2S)-2,4,4-trimethylpentanoate
CID 87851935
methyl (2R)-4,4,4-trichloro-2-methylbutanoate
CID 6932681
dimethyl 4-benzyl-2,2-dimethoxypentanedioate
CID 15097817
dimethyl (2S,7S)-2,7-dimethyloct-4-ynedioate
CID 163588468
methyl (2S)-4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate
CID 87688849
methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate
CID 89164564
methyl 4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptanoate
CID 155658022
methyl 3-(dimethoxymethylsilyl)-2-methylpropanoate
CID 57354389
methyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecanoate
CID 155658119
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,2-dimethoxy-4-methylpentanedioate?
The IUPAC name of dimethyl 2,2-dimethoxy-4-methylpentanedioate (CID 11379303) is dimethyl 2,2-dimethoxy-4-methylpentanedioate.
What is the SMILES notation for dimethyl 2,2-dimethoxy-4-methylpentanedioate?
The canonical SMILES for dimethyl 2,2-dimethoxy-4-methylpentanedioate is COC(=O)C(C)CC(OC)(OC)C(=O)OC.
What is the InChIKey of dimethyl 2,2-dimethoxy-4-methylpentanedioate?
The InChIKey is NHRZHYXGCLZEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-7(8(11)13-2)6-10(15-4,16-5)9(12)14-3/h7H,6H2,1-5H3.
What are the key properties of dimethyl 2,2-dimethoxy-4-methylpentanedioate?
dimethyl 2,2-dimethoxy-4-methylpentanedioate has a molecular weight of 234.25 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,2-dimethoxy-4-methylpentanedioate is sourced from PubChem (CID 11379303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).