2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol

C14H28O4Si — CID 90042024

IUPAC2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H]2C(CCO)CO[C@@H]21
InChIInChI=1S/C14H28O4Si/c1-14(2,3)19(4,5)18-11-9-17-12-10(6-7-15)8-16-13(11)12/h10-13,15H,6-9H2,1-5H3/t10?,11-,12-,13-/m1/s1
InChIKeyAHCIGBGRAJRKKO-KIGPFUIMSA-N
MW288.46 g/mol
LogP2.17
Rot. Bonds4

About 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol

2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol (PubChem CID 90042024) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol
PubChem CID90042024
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H]2C(CCO)CO[C@@H]21
InChIInChI=1S/C14H28O4Si/c1-14(2,3)19(4,5)18-11-9-17-12-10(6-7-15)8-16-13(11)12/h10-13,15H,6-9H2,1-5H3/t10?,11-,12-,13-/m1/s1
InChIKeyAHCIGBGRAJRKKO-KIGPFUIMSA-N
XLogP2.17
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol with MolForge

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Related Compounds

3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-ol
CID 70178632
2-[(3R,3aR,6aR)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol
CID 118424602
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
CID 157382576
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797
sodium (3R,3aS,6S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-sulfinate
CID 166636849
2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethanol
CID 59317318
2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol
CID 59659457
[(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane
CID 166636914
(3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 90286030
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 91867100
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 69230457

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol?
The IUPAC name of 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol (CID 90042024) is 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol.
What is the SMILES notation for 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol?
The canonical SMILES for 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol is CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H]2C(CCO)CO[C@@H]21.
What is the InChIKey of 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol?
The InChIKey is AHCIGBGRAJRKKO-KIGPFUIMSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-14(2,3)19(4,5)18-11-9-17-12-10(6-7-15)8-16-13(11)12/h10-13,15H,6-9H2,1-5H3/t10?,11-,12-,13-/m1/s1.
What are the key properties of 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol?
2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol has a molecular weight of 288.46 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol is sourced from PubChem (CID 90042024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).