(4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one

C24H48O4Si3 — CID 71482460

IUPAC(4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one
SMILESC=CC[C@@]1(O[Si](C)(C)C)C(=O)C=C[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C24H48O4Si3/c1-11-20-24(28-29(8,9)10)22(25)19-18-21(26-30(12-2,13-3)14-4)23(24)27-31(15-5,16-6)17-7/h11,18-19,21,23H,1,12-17,20H2,2-10H3/t21-,23-,24+/m0/s1
InChIKeyVRIJIICJEXTINA-OEMFJLHTSA-N
MW484.90 g/mol
LogP7.07
Rot. Bonds14

About (4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one

(4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one (PubChem CID 71482460) has the molecular formula C24H48O4Si3 and a molecular weight of 484.90 g/mol. Its IUPAC name is (4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one
PubChem CID71482460
Molecular FormulaC24H48O4Si3
Molecular Weight484.90 g/mol
Exact Mass484.29
IUPAC Name(4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one
SMILESC=CC[C@@]1(O[Si](C)(C)C)C(=O)C=C[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C24H48O4Si3/c1-11-20-24(28-29(8,9)10)22(25)19-18-21(26-30(12-2,13-3)14-4)23(24)27-31(15-5,16-6)17-7/h11,18-19,21,23H,1,12-17,20H2,2-10H3/t21-,23-,24+/m0/s1
InChIKeyVRIJIICJEXTINA-OEMFJLHTSA-N
XLogP7.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.90
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-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

(4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 11576727
(4S,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-6-trimethylsilyloxycyclohex-2-en-1-one
CID 11973980
(4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dihydroxy-6-methylcyclohex-2-en-1-one
CID 11973981
5-[Tert-butyl(dimethyl)silyl]oxy-4,6-dihydroxy-6-methylcyclohex-2-en-1-one
CID 73158193
(4S,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-6-methylcyclohex-2-en-1-one
CID 135010345
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 15364500
(4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 89612090
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylcyclohex-2-en-1-one
CID 11065053
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 11100395
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 11474189
methyl (1R,5R)-1-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohex-3-ene-1-carboxylate
CID 11759665
(E,4S,5R,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-7-oxooct-2-enal
CID 66575423

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one?
The IUPAC name of (4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one (CID 71482460) is (4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one.
What is the SMILES notation for (4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one?
The canonical SMILES for (4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one is C=CC[C@@]1(O[Si](C)(C)C)C(=O)C=C[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of (4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one?
The InChIKey is VRIJIICJEXTINA-OEMFJLHTSA-N. The full InChI is InChI=1S/C24H48O4Si3/c1-11-20-24(28-29(8,9)10)22(25)19-18-21(26-30(12-2,13-3)14-4)23(24)27-31(15-5,16-6)17-7/h11,18-19,21,23H,1,12-17,20H2,2-10H3/t21-,23-,24+/m0/s1.
What are the key properties of (4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one?
(4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one has a molecular weight of 484.90 g/mol, XLogP of 7.07, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one is sourced from PubChem (CID 71482460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).