[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate

C31H70N2O4SSi4 — CID 91696927

IUPAC[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate
SMILESCC(C)(C)[Si](C)(C)NC(CCSCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H70N2O4SSi4/c1-28(2,3)39(13,14)32-24(26(34)36-41(17,18)30(7,8)9)21-22-38-23-25(33-40(15,16)29(4,5)6)27(35)37-42(19,20)31(10,11)12/h24-25,32-33H,21-23H2,1-20H3
InChIKeySKJDCTIDDCKYEU-UHFFFAOYSA-N
MW679.32 g/mol
LogP9.13
Rot. Bonds13

About [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate

[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate (PubChem CID 91696927) has the molecular formula C31H70N2O4SSi4 and a molecular weight of 679.32 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate
PubChem CID91696927
Molecular FormulaC31H70N2O4SSi4
Molecular Weight679.32 g/mol
Exact Mass678.41
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate
SMILESCC(C)(C)[Si](C)(C)NC(CCSCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H70N2O4SSi4/c1-28(2,3)39(13,14)32-24(26(34)36-41(17,18)30(7,8)9)21-22-38-23-25(33-40(15,16)29(4,5)6)27(35)37-42(19,20)31(10,11)12/h24-25,32-33H,21-23H2,1-20H3
InChIKeySKJDCTIDDCKYEU-UHFFFAOYSA-N
XLogP9.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.32
LogP ≤ 59.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate (CID 91696927) is [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate is CC(C)(C)[Si](C)(C)NC(CCSCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate?
The InChIKey is SKJDCTIDDCKYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H70N2O4SSi4/c1-28(2,3)39(13,14)32-24(26(34)36-41(17,18)30(7,8)9)21-22-38-23-25(33-40(15,16)29(4,5)6)27(35)37-42(19,20)31(10,11)12/h24-25,32-33H,21-23H2,1-20H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate?
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate has a molecular weight of 679.32 g/mol, XLogP of 9.13, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-[2-[[tert-butyl(dimethyl)silyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]sulfanylbutanoate is sourced from PubChem (CID 91696927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).