[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate

C19H40O3Si2 — CID 91742243

IUPAC[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-16-13-11-15(12-14-16)17(20)22-24(9,10)19(4,5)6/h15-16H,11-14H2,1-10H3
InChIKeySRZVPFPIVVURMB-UHFFFAOYSA-N
MW372.70 g/mol
LogP6.12
Rot. Bonds4

About [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate

[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate (PubChem CID 91742243) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
PubChem CID91742243
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-16-13-11-15(12-14-16)17(20)22-24(9,10)19(4,5)6/h15-16H,11-14H2,1-10H3
InChIKeySRZVPFPIVVURMB-UHFFFAOYSA-N
XLogP6.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate (CID 91742243) is [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate is CC(C)(C)[Si](C)(C)OC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
The InChIKey is SRZVPFPIVVURMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-16-13-11-15(12-14-16)17(20)22-24(9,10)19(4,5)6/h15-16H,11-14H2,1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate has a molecular weight of 372.70 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate is sourced from PubChem (CID 91742243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).