cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one

C12H24O3Si — CID 11096852

IUPACcis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)C[C@@H](O)C1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-11-7-9(13)6-10(14)8-11/h9,11,13H,6-8H2,1-5H3/t9-,11-/m1/s1
InChIKeyFKRONZDHSWPFML-MWLCHTKSSA-N
MW244.41 g/mol
LogP2.49
Rot. Bonds2

About cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one

cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one (PubChem CID 11096852) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one.

Molecular Properties

Compound Namecis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
PubChem CID11096852
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namecis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)C[C@@H](O)C1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-11-7-9(13)6-10(14)8-11/h9,11,13H,6-8H2,1-5H3/t9-,11-/m1/s1
InChIKeyFKRONZDHSWPFML-MWLCHTKSSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl] acetate
CID 21335008
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one
CID 11288440
4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
trans-(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S)-3,7-dimethyloct-6-enyl]cyclohexan-1-one
CID 100971918
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
CID 14172793
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one
CID 58858618
(2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one
CID 11047381
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol
CID 100975570
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetic acid
CID 68542742
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one
CID 91080488

Frequently Asked Questions

What is the IUPAC name of cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one?
The IUPAC name of cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one (CID 11096852) is cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one.
What is the SMILES notation for cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one?
The canonical SMILES for cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)C[C@@H](O)C1.
What is the InChIKey of cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one?
The InChIKey is FKRONZDHSWPFML-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-11-7-9(13)6-10(14)8-11/h9,11,13H,6-8H2,1-5H3/t9-,11-/m1/s1.
What are the key properties of cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one?
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one has a molecular weight of 244.41 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one is sourced from PubChem (CID 11096852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).