3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol

C20H40O4Si — CID 10361950

IUPAC3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol
SMILESCOCOC(CCO)[C@@H]1C[C@@H]2CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C1
InChIInChI=1S/C20H40O4Si/c1-20(2,3)25(5,6)24-19-9-7-8-15-12-16(13-17(15)19)18(10-11-21)23-14-22-4/h15-19,21H,7-14H2,1-6H3/t15-,16+,17+,18?,19-/m0/s1
InChIKeyFOGAFOJTYFOPGW-QHEYBIKBSA-N
MW372.62 g/mol
LogP4.57
Rot. Bonds8

About 3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol

3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol (PubChem CID 10361950) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is 3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol.

Molecular Properties

Compound Name3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol
PubChem CID10361950
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Name3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol
SMILESCOCOC(CCO)[C@@H]1C[C@@H]2CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C1
InChIInChI=1S/C20H40O4Si/c1-20(2,3)25(5,6)24-19-9-7-8-15-12-16(13-17(15)19)18(10-11-21)23-14-22-4/h15-19,21H,7-14H2,1-6H3/t15-,16+,17+,18?,19-/m0/s1
InChIKeyFOGAFOJTYFOPGW-QHEYBIKBSA-N
XLogP4.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol 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 3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol?
The IUPAC name of 3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol (CID 10361950) is 3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol.
What is the SMILES notation for 3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol?
The canonical SMILES for 3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol is COCOC(CCO)[C@@H]1C[C@@H]2CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C1.
What is the InChIKey of 3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol?
The InChIKey is FOGAFOJTYFOPGW-QHEYBIKBSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-20(2,3)25(5,6)24-19-9-7-8-15-12-16(13-17(15)19)18(10-11-21)23-14-22-4/h15-19,21H,7-14H2,1-6H3/t15-,16+,17+,18?,19-/m0/s1.
What are the key properties of 3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol?
3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol has a molecular weight of 372.62 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-3-(methoxymethoxy)propan-1-ol is sourced from PubChem (CID 10361950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).