(2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol

C18H36O4Si — CID 11035352

IUPAC(2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol
SMILESCC(C)[Si](OC[C@@H]1C/C=C\C[C@H](O)[C@@H](CO)O1)(C(C)C)C(C)C
InChIInChI=1S/C18H36O4Si/c1-13(2)23(14(3)4,15(5)6)21-12-16-9-7-8-10-17(20)18(11-19)22-16/h7-8,13-20H,9-12H2,1-6H3/b8-7-/t16-,17-,18+/m0/s1
InChIKeyUVRPQNHQZATNQT-FGEOIHJMSA-N
MW344.57 g/mol
LogP3.64
Rot. Bonds7

About (2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol

(2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol (PubChem CID 11035352) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol.

Molecular Properties

Compound Name(2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol
PubChem CID11035352
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol
SMILESCC(C)[Si](OC[C@@H]1C/C=C\C[C@H](O)[C@@H](CO)O1)(C(C)C)C(C)C
InChIInChI=1S/C18H36O4Si/c1-13(2)23(14(3)4,15(5)6)21-12-16-9-7-8-10-17(20)18(11-19)22-16/h7-8,13-20H,9-12H2,1-6H3/b8-7-/t16-,17-,18+/m0/s1
InChIKeyUVRPQNHQZATNQT-FGEOIHJMSA-N
XLogP3.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.64
H-Bond Donors ≤ 52
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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Related Compounds

(Z,1R)-1-[(2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-trimethylsilylhex-3-en-5-yn-1-ol
CID 54608568
[(2R,3R,6Z,9R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol
CID 49844816
(1S,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968873
(1R,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968875
(Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
CID 138981692
(1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138982240
(Z,1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
CID 146161480
(Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
CID 146161578
(2S,3R,6S,7R)-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetrahydrooxepine-3,6-diol
CID 11015279
(2S,3R,6S,7R)-2,7-bis[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepine-3,6-diol
CID 100966710
(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol
CID 12019916
5,7-Bis[[tert-butyl(dimethyl)silyl]oxy]-6-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]nona-2,8-dien-1-ol
CID 140089891

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol?
The IUPAC name of (2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol (CID 11035352) is (2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol.
What is the SMILES notation for (2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol?
The canonical SMILES for (2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol is CC(C)[Si](OC[C@@H]1C/C=C\C[C@H](O)[C@@H](CO)O1)(C(C)C)C(C)C.
What is the InChIKey of (2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol?
The InChIKey is UVRPQNHQZATNQT-FGEOIHJMSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-13(2)23(14(3)4,15(5)6)21-12-16-9-7-8-10-17(20)18(11-19)22-16/h7-8,13-20H,9-12H2,1-6H3/b8-7-/t16-,17-,18+/m0/s1.
What are the key properties of (2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol?
(2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol has a molecular weight of 344.57 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5Z,8S)-2-(hydroxymethyl)-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol is sourced from PubChem (CID 11035352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).