(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one

C14H26O2Si — CID 91156705

IUPAC(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C14H26O2Si/c1-10-8-12(15)9-13(11(10)2)16-17(6,7)14(3,4)5/h8,11,13H,9H2,1-7H3/t11-,13+/m1/s1
InChIKeyONQDZXIYDNGZRP-YPMHNXCESA-N
MW254.45 g/mol
LogP3.93
Rot. Bonds2

About (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one

(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one (PubChem CID 91156705) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one
PubChem CID91156705
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C14H26O2Si/c1-10-8-12(15)9-13(11(10)2)16-17(6,7)14(3,4)5/h8,11,13H,9H2,1-7H3/t11-,13+/m1/s1
InChIKeyONQDZXIYDNGZRP-YPMHNXCESA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-{[tert-Butyl(dimethyl)silyl]oxy}cyclohex-2-en-1-one
CID 10307993
5alpha-(tert-Butyldimethylsiloxy)-2-cyclohexen-1-one
CID 11128022
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohept-2-en-1-one
CID 86593511
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-propan-2-ylcyclopent-2-en-1-one
CID 12169197
1-(4-Methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
CID 552995
Ethanone, 1-[4-methyl-2-[(trimethylsilyl)oxy]-3-cyclohexen-1-yl]-, cis-(+/-)-
CID 91696613
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4,4-dimethylcyclohex-2-en-1-one
CID 11335057
4-[Tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one
CID 70003441
5-Methoxy-3,6-dimethylcyclohex-2-en-1-one
CID 91490765
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-propan-2-ylcyclohex-2-en-1-one
CID 91550986
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-one
CID 9856188
(3E,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-8-methylidenedeca-1,3-dien-5-one
CID 10246424

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one (CID 91156705) is (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one is CC1=CC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one?
The InChIKey is ONQDZXIYDNGZRP-YPMHNXCESA-N. The full InChI is InChI=1S/C14H26O2Si/c1-10-8-12(15)9-13(11(10)2)16-17(6,7)14(3,4)5/h8,11,13H,9H2,1-7H3/t11-,13+/m1/s1.
What are the key properties of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one?
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one has a molecular weight of 254.45 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 91156705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).