dimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate

C18H38O4Si2 — CID 14979607

IUPACdimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate
SMILESCOC(=O)C(C(C(=O)OC)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-17(2,3)23(9,10)13(15(19)21-7)14(16(20)22-8)24(11,12)18(4,5)6/h13-14H,1-12H3
InChIKeySWKMRWYAAJEKDE-UHFFFAOYSA-N
MW374.67 g/mol
LogP5.09
Rot. Bonds5

About dimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate

dimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate (PubChem CID 14979607) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is dimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate.

Molecular Properties

Compound Namedimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate
PubChem CID14979607
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Namedimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate
SMILESCOC(=O)C(C(C(=O)OC)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-17(2,3)23(9,10)13(15(19)21-7)14(16(20)22-8)24(11,12)18(4,5)6/h13-14H,1-12H3
InChIKeySWKMRWYAAJEKDE-UHFFFAOYSA-N
XLogP5.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate?
The IUPAC name of dimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate (CID 14979607) is dimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate.
What is the SMILES notation for dimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate?
The canonical SMILES for dimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate is COC(=O)C(C(C(=O)OC)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate?
The InChIKey is SWKMRWYAAJEKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-17(2,3)23(9,10)13(15(19)21-7)14(16(20)22-8)24(11,12)18(4,5)6/h13-14H,1-12H3.
What are the key properties of dimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate?
dimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate has a molecular weight of 374.67 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,3-bis[tert-butyl(dimethyl)silyl]butanedioate is sourced from PubChem (CID 14979607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).