(3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one

C17H35NO5Si — CID 140795939

IUPAC(3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one
SMILESCOCO[C@H]1C(=O)N(COC)[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H35NO5Si/c1-12(2)24(13(3)4,14(5)6)23-9-15-16(22-11-21-8)17(19)18(15)10-20-7/h12-16H,9-11H2,1-8H3/t15-,16+/m0/s1
InChIKeyOARKXFXWZWRYAS-JKSUJKDBSA-N
MW361.56 g/mol
LogP2.98
Rot. Bonds11

About (3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one

(3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one (PubChem CID 140795939) has the molecular formula C17H35NO5Si and a molecular weight of 361.56 g/mol. Its IUPAC name is (3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one
PubChem CID140795939
Molecular FormulaC17H35NO5Si
Molecular Weight361.56 g/mol
Exact Mass361.23
IUPAC Name(3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one
SMILESCOCO[C@H]1C(=O)N(COC)[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H35NO5Si/c1-12(2)24(13(3)4,14(5)6)23-9-15-16(22-11-21-8)17(19)18(15)10-20-7/h12-16H,9-11H2,1-8H3/t15-,16+/m0/s1
InChIKeyOARKXFXWZWRYAS-JKSUJKDBSA-N
XLogP2.98
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-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

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one?
The IUPAC name of (3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one (CID 140795939) is (3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one is COCO[C@H]1C(=O)N(COC)[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one?
The InChIKey is OARKXFXWZWRYAS-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H35NO5Si/c1-12(2)24(13(3)4,14(5)6)23-9-15-16(22-11-21-8)17(19)18(15)10-20-7/h12-16H,9-11H2,1-8H3/t15-,16+/m0/s1.
What are the key properties of (3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one?
(3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one has a molecular weight of 361.56 g/mol, XLogP of 2.98, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(methoxymethoxy)-1-(methoxymethyl)-4-[tri(propan-2-yl)silyloxymethyl]azetidin-2-one is sourced from PubChem (CID 140795939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).