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

C18H38O4Si2 — CID 15344855

IUPACtrans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)C[C@@H](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/t14-,15-/m1/s1
InChIKeyWXSHSLZNMIOUPW-HUUCEWRRSA-N
MW374.67 g/mol
LogP4.49
Rot. Bonds4

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

trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one (PubChem CID 15344855) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one.

Molecular Properties

Compound Nametrans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one
PubChem CID15344855
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Nametrans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)C[C@@H](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/t14-,15-/m1/s1
InChIKeyWXSHSLZNMIOUPW-HUUCEWRRSA-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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Related Compounds

trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one
CID 10003725
Cyclohexanone, 3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-hydroxy-, (3R, 5R)
CID 11222586
(2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one
CID 134866747
(2R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,5-trihydroxycyclohexan-1-one;hydrate
CID 139115328
3-hydroxy-5-(tert-butyldimethylsilyloxy)-(3R,5S)-cyclohexan-1-one
CID 9856251
(3S,5S)-3,5-Bis((tert-butyldimethylsilyl)oxy)cyclohexan-1-one
CID 11068324
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one
CID 11190060
3-[Tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 18471536
(3S,5S)-3,5-bis(tert-butyldimethylsilyloxy)cyclohexanone
CID 23367341
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one
CID 57599550
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexan-1-one
CID 59153473

Frequently Asked Questions

What is the IUPAC name of trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one?
The IUPAC name of trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one (CID 15344855) is trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one.
What is the SMILES notation for trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one?
The canonical SMILES for trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one is CC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1O.
What is the InChIKey of trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one?
The InChIKey is WXSHSLZNMIOUPW-HUUCEWRRSA-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/t14-,15-/m1/s1.
What are the key properties of trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one?
trans-(3R,5R)-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 trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one is sourced from PubChem (CID 15344855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).