(4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one

C18H36O4Si3 — CID 71482458

IUPAC(4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one
SMILESC=CC[C@@]1(O[Si](C)(C)C)C(=O)C=C[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C18H36O4Si3/c1-11-14-18(22-25(8,9)10)16(19)13-12-15(20-23(2,3)4)17(18)21-24(5,6)7/h11-13,15,17H,1,14H2,2-10H3/t15-,17-,18+/m0/s1
InChIKeyPLYAWZQCHIAUEV-RYQLBKOJSA-N
MW400.74 g/mol
LogP4.73
Rot. Bonds8

About (4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one

(4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one (PubChem CID 71482458) has the molecular formula C18H36O4Si3 and a molecular weight of 400.74 g/mol. Its IUPAC name is (4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one
PubChem CID71482458
Molecular FormulaC18H36O4Si3
Molecular Weight400.74 g/mol
Exact Mass400.19
IUPAC Name(4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one
SMILESC=CC[C@@]1(O[Si](C)(C)C)C(=O)C=C[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C18H36O4Si3/c1-11-14-18(22-25(8,9)10)16(19)13-12-15(20-23(2,3)4)17(18)21-24(5,6)7/h11-13,15,17H,1,14H2,2-10H3/t15-,17-,18+/m0/s1
InChIKeyPLYAWZQCHIAUEV-RYQLBKOJSA-N
XLogP4.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.74
LogP ≤ 54.73
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'}

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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
(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
(E,4S,5R,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-7-oxooct-2-enal
CID 66575423
[(1R,2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-prop-2-enyl-6-trimethylsilyloxycyclohex-3-en-1-yl] methanesulfonate
CID 71482457
(4S,5S,6S)-6-prop-2-enyl-4,5-bis(triethylsilyloxy)-6-trimethylsilyloxycyclohex-2-en-1-one
CID 71482460

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one?
The IUPAC name of (4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one (CID 71482458) is (4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one.
What is the SMILES notation for (4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one?
The canonical SMILES for (4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one is C=CC[C@@]1(O[Si](C)(C)C)C(=O)C=C[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of (4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one?
The InChIKey is PLYAWZQCHIAUEV-RYQLBKOJSA-N. The full InChI is InChI=1S/C18H36O4Si3/c1-11-14-18(22-25(8,9)10)16(19)13-12-15(20-23(2,3)4)17(18)21-24(5,6)7/h11-13,15,17H,1,14H2,2-10H3/t15-,17-,18+/m0/s1.
What are the key properties of (4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one?
(4S,5S,6S)-6-prop-2-enyl-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one has a molecular weight of 400.74 g/mol, XLogP of 4.73, 8 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-4,5,6-tris(trimethylsilyloxy)cyclohex-2-en-1-one is sourced from PubChem (CID 71482458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).