(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

C16H30O6Si — CID 135005395

IUPAC(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)OC3C2(O)C[Si](C)(C)C)O1
InChIInChI=1S/C16H30O6Si/c1-14(2)18-8-10(20-14)11-16(17,9-23(5,6)7)12-13(19-11)22-15(3,4)21-12/h10-13,17H,8-9H2,1-7H3/t10?,11-,12?,13-,16?/m1/s1
InChIKeyFZFZHRREJIIYCV-DTNJNMIDSA-N
MW346.50 g/mol
LogP2.08
Rot. Bonds3

About (3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (PubChem CID 135005395) has the molecular formula C16H30O6Si and a molecular weight of 346.50 g/mol. Its IUPAC name is (3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
PubChem CID135005395
Molecular FormulaC16H30O6Si
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)OC3C2(O)C[Si](C)(C)C)O1
InChIInChI=1S/C16H30O6Si/c1-14(2)18-8-10(20-14)11-16(17,9-23(5,6)7)12-13(19-11)22-15(3,4)21-12/h10-13,17H,8-9H2,1-7H3/t10?,11-,12?,13-,16?/m1/s1
InChIKeyFZFZHRREJIIYCV-DTNJNMIDSA-N
XLogP2.08
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (CID 135005395) is (3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is CC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)OC3C2(O)C[Si](C)(C)C)O1.
What is the InChIKey of (3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The InChIKey is FZFZHRREJIIYCV-DTNJNMIDSA-N. The full InChI is InChI=1S/C16H30O6Si/c1-14(2)18-8-10(20-14)11-16(17,9-23(5,6)7)12-13(19-11)22-15(3,4)21-12/h10-13,17H,8-9H2,1-7H3/t10?,11-,12?,13-,16?/m1/s1.
What are the key properties of (3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol has a molecular weight of 346.50 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-(trimethylsilylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 135005395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).