cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one

C16H30O2Si — CID 11161862

IUPACcis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one
SMILESC=CC[C@]1(C)C(=O)CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-8-12-16(5)13(17)10-9-11-14(16)18-19(6,7)15(2,3)4/h8,14H,1,9-12H2,2-7H3/t14-,16+/m0/s1
InChIKeyOXTVMEKXMTVAGE-GOEBONIOSA-N
MW282.50 g/mol
LogP4.71
Rot. Bonds4

About cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one

cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one (PubChem CID 11161862) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one
PubChem CID11161862
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Namecis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one
SMILESC=CC[C@]1(C)C(=O)CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-8-12-16(5)13(17)10-9-11-14(16)18-19(6,7)15(2,3)4/h8,14H,1,9-12H2,2-7H3/t14-,16+/m0/s1
InChIKeyOXTVMEKXMTVAGE-GOEBONIOSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-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

(7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one
CID 11313450
trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one
CID 11507286
cis-(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 134939454
6-[Tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one
CID 58233725
(5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one
CID 58233786
(8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one
CID 58233793
3-[Tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one
CID 66910075
1-Allyl-4-(tert-butyl-dimethyl-silanyloxy)-cyclohexanecarbaldehyde
CID 86643029
(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one;pent-1-ene
CID 161755720
(5R)-3-[dimethyl(2,3,3,4,4,5,5,6,6,7,7-undecamethyldodecan-2-yl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one
CID 173561271
1-[4-[Tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexyl]ethanone
CID 173576795
(2S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 10858982

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one?
The IUPAC name of cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one (CID 11161862) is cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one.
What is the SMILES notation for cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one?
The canonical SMILES for cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one is C=CC[C@]1(C)C(=O)CCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one?
The InChIKey is OXTVMEKXMTVAGE-GOEBONIOSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-8-12-16(5)13(17)10-9-11-14(16)18-19(6,7)15(2,3)4/h8,14H,1,9-12H2,2-7H3/t14-,16+/m0/s1.
What are the key properties of cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one?
cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one has a molecular weight of 282.50 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one is sourced from PubChem (CID 11161862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).