(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol

C15H30O5Si — CID 23256518

IUPAC(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
SMILESCC1(C)O[C@H]2O[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)C[C@H]2O1
InChIInChI=1S/C15H30O5Si/c1-14(2,3)21(6,7)17-9-10(16)11-8-12-13(18-11)20-15(4,5)19-12/h10-13,16H,8-9H2,1-7H3/t10-,11+,12-,13-/m1/s1
InChIKeyNNIJQQWCGVZQNT-YVECIDJPSA-N
MW318.49 g/mol
LogP2.64
Rot. Bonds4

About (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol

(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol (PubChem CID 23256518) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol.

Molecular Properties

Compound Name(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
PubChem CID23256518
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
SMILESCC1(C)O[C@H]2O[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)C[C@H]2O1
InChIInChI=1S/C15H30O5Si/c1-14(2,3)21(6,7)17-9-10(16)11-8-12-13(18-11)20-15(4,5)19-12/h10-13,16H,8-9H2,1-7H3/t10-,11+,12-,13-/m1/s1
InChIKeyNNIJQQWCGVZQNT-YVECIDJPSA-N
XLogP2.64
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The IUPAC name of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol (CID 23256518) is (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol.
What is the SMILES notation for (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The canonical SMILES for (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol is CC1(C)O[C@H]2O[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)C[C@H]2O1.
What is the InChIKey of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The InChIKey is NNIJQQWCGVZQNT-YVECIDJPSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-14(2,3)21(6,7)17-9-10(16)11-8-12-13(18-11)20-15(4,5)19-12/h10-13,16H,8-9H2,1-7H3/t10-,11+,12-,13-/m1/s1.
What are the key properties of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol has a molecular weight of 318.49 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol is sourced from PubChem (CID 23256518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).