(3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol

C22H40O10Si — CID 158271059

IUPAC(3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
SMILESCC1(C)OC2[C@H](OC(CC(O)C[Si](C)(C)C)[C@@H]2O)O1.CC1(C)OC2[C@H](OC3CC(O)O[C@@H]32)O1
InChIInChI=1S/C13H26O5Si.C9H14O5/c1-13(2)17-11-10(15)9(16-12(11)18-13)6-8(14)7-19(3,4)5;1-9(2)13-7-6-4(3-5(10)12-6)11-8(7)14-9/h8-12,14-15H,6-7H2,1-5H3;4-8,10H,3H2,1-2H3/t8?,9?,10-,11?,12+;4?,5?,6-,7?,8+/m00/s1
InChIKeyGJANFRWEUSQOLL-UHZGYNKPSA-N
MW492.64 g/mol
LogP1.28
Rot. Bonds4

About (3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol

(3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol (PubChem CID 158271059) has the molecular formula C22H40O10Si and a molecular weight of 492.64 g/mol. Its IUPAC name is (3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol.

Molecular Properties

Compound Name(3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
PubChem CID158271059
Molecular FormulaC22H40O10Si
Molecular Weight492.64 g/mol
Exact Mass492.24
IUPAC Name(3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
SMILESCC1(C)OC2[C@H](OC(CC(O)C[Si](C)(C)C)[C@@H]2O)O1.CC1(C)OC2[C@H](OC3CC(O)O[C@@H]32)O1
InChIInChI=1S/C13H26O5Si.C9H14O5/c1-13(2)17-11-10(15)9(16-12(11)18-13)6-8(14)7-19(3,4)5;1-9(2)13-7-6-4(3-5(10)12-6)11-8(7)14-9/h8-12,14-15H,6-7H2,1-5H3;4-8,10H,3H2,1-2H3/t8?,9?,10-,11?,12+;4?,5?,6-,7?,8+/m00/s1
InChIKeyGJANFRWEUSQOLL-UHZGYNKPSA-N
XLogP1.28
TPSA125.30 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.64
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-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 (3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol?
The IUPAC name of (3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol (CID 158271059) is (3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol.
What is the SMILES notation for (3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol?
The canonical SMILES for (3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol is CC1(C)OC2[C@H](OC(CC(O)C[Si](C)(C)C)[C@@H]2O)O1.CC1(C)OC2[C@H](OC3CC(O)O[C@@H]32)O1.
What is the InChIKey of (3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol?
The InChIKey is GJANFRWEUSQOLL-UHZGYNKPSA-N. The full InChI is InChI=1S/C13H26O5Si.C9H14O5/c1-13(2)17-11-10(15)9(16-12(11)18-13)6-8(14)7-19(3,4)5;1-9(2)13-7-6-4(3-5(10)12-6)11-8(7)14-9/h8-12,14-15H,6-7H2,1-5H3;4-8,10H,3H2,1-2H3/t8?,9?,10-,11?,12+;4?,5?,6-,7?,8+/m00/s1.
What are the key properties of (3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol?
(3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol has a molecular weight of 492.64 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol is sourced from PubChem (CID 158271059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).