(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one

C18H36O3Si — CID 11151611

IUPAC(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one
SMILESC=C(CC)C[C@H](C[C@@H](CC(C)=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-10-14(2)11-17(13-16(20-7)12-15(3)19)21-22(8,9)18(4,5)6/h16-17H,2,10-13H2,1,3-9H3/t16-,17-/m1/s1
InChIKeyOVDWXIDYVJIMLT-IAGOWNOFSA-N
MW328.57 g/mol
LogP5.12
Rot. Bonds10

About (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one (PubChem CID 11151611) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one.

Molecular Properties

Compound Name(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one
PubChem CID11151611
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one
SMILESC=C(CC)C[C@H](C[C@@H](CC(C)=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-10-14(2)11-17(13-16(20-7)12-15(3)19)21-22(8,9)18(4,5)6/h16-17H,2,10-13H2,1,3-9H3/t16-,17-/m1/s1
InChIKeyOVDWXIDYVJIMLT-IAGOWNOFSA-N
XLogP5.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-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

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one
CID 11044811
(10R)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-6-one
CID 134942392
10-[Tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 11324012
2-Ethyl-4-triethylsilyloxydec-1-ene-1,9-dione
CID 140333756
(10R)-10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 10637844
(6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one
CID 11232284
1-[(2S,4E,6S)-6-ethyl-4-(trimethylsilylmethylidene)oxan-2-yl]octan-2-one
CID 11573385
(6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one
CID 11716597
7-[Tert-butyl(dimethyl)silyl]oxy-5-methylidenedodecan-2-one
CID 50901531
(8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one
CID 101396006
(9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one
CID 102024371
1-[(2S,4Z,6S)-6-ethyl-4-(trimethylsilylmethylidene)oxan-2-yl]octan-2-one
CID 177562948

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one?
The IUPAC name of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one (CID 11151611) is (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one.
What is the SMILES notation for (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one?
The canonical SMILES for (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one is C=C(CC)C[C@H](C[C@@H](CC(C)=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one?
The InChIKey is OVDWXIDYVJIMLT-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-10-14(2)11-17(13-16(20-7)12-15(3)19)21-22(8,9)18(4,5)6/h16-17H,2,10-13H2,1,3-9H3/t16-,17-/m1/s1.
What are the key properties of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one?
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one has a molecular weight of 328.57 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one is sourced from PubChem (CID 11151611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).