bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate

C18H34O6 — CID 139989397

IUPACbis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate
SMILESCCOC(C)(C(=O)OCC(C)C)C(C)(OCC)C(=O)OCC(C)C
InChIInChI=1S/C18H34O6/c1-9-23-17(7,15(19)21-11-13(3)4)18(8,24-10-2)16(20)22-12-14(5)6/h13-14H,9-12H2,1-8H3
InChIKeyBAAWBXAKTSLZOM-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.98
Rot. Bonds11

About bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate

bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate (PubChem CID 139989397) has the molecular formula C18H34O6 and a molecular weight of 346.46 g/mol. Its IUPAC name is bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate.

Molecular Properties

Compound Namebis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate
PubChem CID139989397
Molecular FormulaC18H34O6
Molecular Weight346.46 g/mol
Exact Mass346.24
IUPAC Namebis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate
SMILESCCOC(C)(C(=O)OCC(C)C)C(C)(OCC)C(=O)OCC(C)C
InChIInChI=1S/C18H34O6/c1-9-23-17(7,15(19)21-11-13(3)4)18(8,24-10-2)16(20)22-12-14(5)6/h13-14H,9-12H2,1-8H3
InChIKeyBAAWBXAKTSLZOM-UHFFFAOYSA-N
XLogP2.98
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylpropyl 2,2-diethylbutanoate
CID 139972882
2-methylpropyl 2-(ethylamino)-2-methylpropanoate
CID 62821579
bis(2-methylpropyl) 2,2,3-trimethylbutanedioate
CID 22639843
2-methylpropyl 2,2-dimethylheptanoate
CID 58096950
2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 153381891
[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 153381894
1-O-(2-methylpropyl) 3-O-nonyl 2,2-dimethylpropanedioate
CID 91714570
1-O-butyl 5-O-(2-methylpropyl) 2,2,4,4-tetramethylpentanedioate
CID 126725784
2-methyl-2-(2-methylpropoxy)propanamide
CID 137483152
3-ethyl-3-(2-methylpropoxycarbonyl)pentanoic acid
CID 87559414
2-ethoxypropyl 2,2-dimethylbutanoate
CID 177277307
2-methylpropyl 2-amino-2-cyclopropylpropanoate
CID 61277456

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate?
The IUPAC name of bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate (CID 139989397) is bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate.
What is the SMILES notation for bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate?
The canonical SMILES for bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate is CCOC(C)(C(=O)OCC(C)C)C(C)(OCC)C(=O)OCC(C)C.
What is the InChIKey of bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate?
The InChIKey is BAAWBXAKTSLZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O6/c1-9-23-17(7,15(19)21-11-13(3)4)18(8,24-10-2)16(20)22-12-14(5)6/h13-14H,9-12H2,1-8H3.
What are the key properties of bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate?
bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate has a molecular weight of 346.46 g/mol, XLogP of 2.98, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate is sourced from PubChem (CID 139989397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).