dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate

C16H30O6 — CID 139989360

IUPACdibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate
SMILESCCC(C)OC(=O)C(C)(OC)C(C)(OC)C(=O)OC(C)CC
InChIInChI=1S/C16H30O6/c1-9-11(3)21-13(17)15(5,19-7)16(6,20-8)14(18)22-12(4)10-2/h11-12H,9-10H2,1-8H3
InChIKeyQFISEIJEYYXCBY-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.48
Rot. Bonds9

About dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate

dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate (PubChem CID 139989360) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate.

Molecular Properties

Compound Namedibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate
PubChem CID139989360
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Namedibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate
SMILESCCC(C)OC(=O)C(C)(OC)C(C)(OC)C(=O)OC(C)CC
InChIInChI=1S/C16H30O6/c1-9-11(3)21-13(17)15(5,19-7)16(6,20-8)14(18)22-12(4)10-2/h11-12H,9-10H2,1-8H3
InChIKeyQFISEIJEYYXCBY-UHFFFAOYSA-N
XLogP2.48
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dipropan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 139989252
butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate
CID 166505189
butan-2-yl 2-bromo-2,2-difluoroacetate
CID 87123357
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
1-O-butan-2-yl 3-O-butyl 2-hydroxy-2-methoxypropanedioate
CID 173238118
butan-2-yl 2-amino-2-cyclopropylpropanoate
CID 60904237
butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 592907
butan-2-yl 2-but-2-enoyloxy-2-methylpropanoate
CID 166141613
dimethyl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 151999350
butan-2-yl butan-2-yloxycarbonyl carbonate
CID 11183557
dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate
CID 97292372

Frequently Asked Questions

What is the IUPAC name of dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate?
The IUPAC name of dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate (CID 139989360) is dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate.
What is the SMILES notation for dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate?
The canonical SMILES for dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate is CCC(C)OC(=O)C(C)(OC)C(C)(OC)C(=O)OC(C)CC.
What is the InChIKey of dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate?
The InChIKey is QFISEIJEYYXCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6/c1-9-11(3)21-13(17)15(5,19-7)16(6,20-8)14(18)22-12(4)10-2/h11-12H,9-10H2,1-8H3.
What are the key properties of dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate?
dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate has a molecular weight of 318.41 g/mol, XLogP of 2.48, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate is sourced from PubChem (CID 139989360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).