3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one

C18H38O4Si2 — CID 11222586

IUPAC3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)CC(O[Si](C)(C)C(C)(C)C)C1O
InChIInChI=1S/C18H38O4Si2/c1-17(2,3)23(7,8)21-14-11-13(19)12-15(16(14)20)22-24(9,10)18(4,5)6/h14-16,20H,11-12H2,1-10H3
InChIKeyWXSHSLZNMIOUPW-UHFFFAOYSA-N
MW374.67 g/mol
LogP4.49
Rot. Bonds4

About 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one

3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one (PubChem CID 11222586) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one
PubChem CID11222586
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Name3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)CC(O[Si](C)(C)C(C)(C)C)C1O
InChIInChI=1S/C18H38O4Si2/c1-17(2,3)23(7,8)21-14-11-13(19)12-15(16(14)20)22-24(9,10)18(4,5)6/h14-16,20H,11-12H2,1-10H3
InChIKeyWXSHSLZNMIOUPW-UHFFFAOYSA-N
XLogP4.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 54.49
H-Bond Donors ≤ 51
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 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one?
The IUPAC name of 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one (CID 11222586) is 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one.
What is the SMILES notation for 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one?
The canonical SMILES for 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one is CC(C)(C)[Si](C)(C)OC1CC(=O)CC(O[Si](C)(C)C(C)(C)C)C1O.
What is the InChIKey of 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one?
The InChIKey is WXSHSLZNMIOUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-17(2,3)23(7,8)21-14-11-13(19)12-15(16(14)20)22-24(9,10)18(4,5)6/h14-16,20H,11-12H2,1-10H3.
What are the key properties of 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one?
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one has a molecular weight of 374.67 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one is sourced from PubChem (CID 11222586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).