S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate

C18H36O3SSi — CID 10904504

IUPACS-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate
SMILESC=CCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H](O)CC(=O)SCC
InChIInChI=1S/C18H36O3SSi/c1-7-12-13-17(21-23(9-3,10-4)11-5)15(6)16(19)14-18(20)22-8-2/h7,15-17,19H,1,8-14H2,2-6H3/t15-,16+,17-/m1/s1
InChIKeyMDDQOMTXIPFHMA-IXDOHACOSA-N
MW360.64 g/mol
LogP5.01
Rot. Bonds13

About S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate

S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate (PubChem CID 10904504) has the molecular formula C18H36O3SSi and a molecular weight of 360.64 g/mol. Its IUPAC name is S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate.

Molecular Properties

Compound NameS-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate
PubChem CID10904504
Molecular FormulaC18H36O3SSi
Molecular Weight360.64 g/mol
Exact Mass360.22
IUPAC NameS-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate
SMILESC=CCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H](O)CC(=O)SCC
InChIInChI=1S/C18H36O3SSi/c1-7-12-13-17(21-23(9-3,10-4)11-5)15(6)16(19)14-18(20)22-8-2/h7,15-17,19H,1,8-14H2,2-6H3/t15-,16+,17-/m1/s1
InChIKeyMDDQOMTXIPFHMA-IXDOHACOSA-N
XLogP5.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.64
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate 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

(3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol
CID 52912234
[(4R)-4-triethylsilyloxypentyl] prop-2-enoate
CID 141157496
S-ethyl 3-sulfanylbutanethioate
CID 87476653
ethyl (3R)-2,3-dihydroxyhept-6-enoate
CID 87766158
(2R,3S)-hept-6-ene-2,3-diol
CID 102384670
(5R,6S)-dec-1-ene-5,6-diol
CID 10511398
(5R,6R)-dec-1-ene-5,6-diol
CID 10844929
ethyl 2-(1-hydroxyethyl)hex-5-enoate
CID 76532032
S-ethyl (E,3R)-3-hydroxyhex-4-enethioate
CID 101168874
2-ethoxyoct-7-en-3-ol
CID 64541753
(3R)-1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-triethylsilyloxyoct-7-en-1-one
CID 58712847
3-hydroxy-2-methylhept-6-enal
CID 15601022

Frequently Asked Questions

What is the IUPAC name of S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate?
The IUPAC name of S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate (CID 10904504) is S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate.
What is the SMILES notation for S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate?
The canonical SMILES for S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate is C=CCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H](O)CC(=O)SCC.
What is the InChIKey of S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate?
The InChIKey is MDDQOMTXIPFHMA-IXDOHACOSA-N. The full InChI is InChI=1S/C18H36O3SSi/c1-7-12-13-17(21-23(9-3,10-4)11-5)15(6)16(19)14-18(20)22-8-2/h7,15-17,19H,1,8-14H2,2-6H3/t15-,16+,17-/m1/s1.
What are the key properties of S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate?
S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate has a molecular weight of 360.64 g/mol, XLogP of 5.01, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate is sourced from PubChem (CID 10904504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).