(2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one

C19H36O4Si — CID 66552945

IUPAC(2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one
SMILESCC(C)[Si](O[C@@H]1/C=C/[C@H](O)CC[C@@H](C)OC(=O)C1)(C(C)C)C(C)C
InChIInChI=1S/C19H36O4Si/c1-13(2)24(14(3)4,15(5)6)23-18-11-10-17(20)9-8-16(7)22-19(21)12-18/h10-11,13-18,20H,8-9,12H2,1-7H3/b11-10+/t16-,17-,18-/m1/s1
InChIKeyHRTBVBSIHVEGIX-YLDLBQQMSA-N
MW356.58 g/mol
LogP4.58
Rot. Bonds5

About (2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one

(2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one (PubChem CID 66552945) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is (2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one.

Molecular Properties

Compound Name(2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one
PubChem CID66552945
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name(2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one
SMILESCC(C)[Si](O[C@@H]1/C=C/[C@H](O)CC[C@@H](C)OC(=O)C1)(C(C)C)C(C)C
InChIInChI=1S/C19H36O4Si/c1-13(2)24(14(3)4,15(5)6)23-18-11-10-17(20)9-8-16(7)22-19(21)12-18/h10-11,13-18,20H,8-9,12H2,1-7H3/b11-10+/t16-,17-,18-/m1/s1
InChIKeyHRTBVBSIHVEGIX-YLDLBQQMSA-N
XLogP4.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.58
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'}

Analyze (2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-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

Seimatopolide B
CID 57409556
Xhugxcvnagwncv-varvqhausa-
CID 11194986
Decarestrictine C1
CID 156583153
Decarestrictine C2
CID 156583154
(2R,5S,6E,8R)-5,8-dihydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
CID 10330405
(2R,5S,6E,8S)-5,8-dihydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
CID 24773315
(2R,4S,5E,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 11091533
(2R,5R,6Z,8S)-5,8-dihydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
CID 44189799
ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodeca-4,6-dienoate
CID 57327644
ethyl (3S,4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodeca-4,6-dienoate
CID 57327646
(2R,5S,6E)-5,8-dihydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
CID 134830591
(3S,4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodeca-4,6-dienoic acid
CID 134837095

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one?
The IUPAC name of (2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one (CID 66552945) is (2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one.
What is the SMILES notation for (2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one?
The canonical SMILES for (2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one is CC(C)[Si](O[C@@H]1/C=C/[C@H](O)CC[C@@H](C)OC(=O)C1)(C(C)C)C(C)C.
What is the InChIKey of (2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one?
The InChIKey is HRTBVBSIHVEGIX-YLDLBQQMSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-13(2)24(14(3)4,15(5)6)23-18-11-10-17(20)9-8-16(7)22-19(21)12-18/h10-11,13-18,20H,8-9,12H2,1-7H3/b11-10+/t16-,17-,18-/m1/s1.
What are the key properties of (2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one?
(2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one has a molecular weight of 356.58 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6E,8S)-5-hydroxy-2-methyl-8-tri(propan-2-yl)silyloxy-2,3,4,5,8,9-hexahydrooxecin-10-one is sourced from PubChem (CID 66552945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).