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

C28H62O4S2Si4 — CID 91697063

IUPACbis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]sulfanyl]butanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C(S[Si](C)(C)C(C)(C)C)C(S[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H62O4S2Si4/c1-25(2,3)35(13,14)31-23(29)21(33-37(17,18)27(7,8)9)22(34-38(19,20)28(10,11)12)24(30)32-36(15,16)26(4,5)6/h21-22H,1-20H3
InChIKeyJGYKPSQJNFKQGX-UHFFFAOYSA-N
MW639.28 g/mol
LogP10.30
Rot. Bonds9

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

bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]sulfanyl]butanedioate (PubChem CID 91697063) has the molecular formula C28H62O4S2Si4 and a molecular weight of 639.28 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]sulfanyl]butanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]sulfanyl]butanedioate
PubChem CID91697063
Molecular FormulaC28H62O4S2Si4
Molecular Weight639.28 g/mol
Exact Mass638.32
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]sulfanyl]butanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C(S[Si](C)(C)C(C)(C)C)C(S[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H62O4S2Si4/c1-25(2,3)35(13,14)31-23(29)21(33-37(17,18)27(7,8)9)22(34-38(19,20)28(10,11)12)24(30)32-36(15,16)26(4,5)6/h21-22H,1-20H3
InChIKeyJGYKPSQJNFKQGX-UHFFFAOYSA-N
XLogP10.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.28
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]sulfanyl]butanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]sulfanyl]butanedioate (CID 91697063) is bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]sulfanyl]butanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]sulfanyl]butanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]sulfanyl]butanedioate is CC(C)(C)[Si](C)(C)OC(=O)C(S[Si](C)(C)C(C)(C)C)C(S[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]sulfanyl]butanedioate?
The InChIKey is JGYKPSQJNFKQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H62O4S2Si4/c1-25(2,3)35(13,14)31-23(29)21(33-37(17,18)27(7,8)9)22(34-38(19,20)28(10,11)12)24(30)32-36(15,16)26(4,5)6/h21-22H,1-20H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]sulfanyl]butanedioate?
bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]sulfanyl]butanedioate has a molecular weight of 639.28 g/mol, XLogP of 10.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]sulfanyl]butanedioate is sourced from PubChem (CID 91697063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).