tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane

C23H30O3Si — CID 159902587

IUPACtert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane
SMILESCC1COC2OC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C12
InChIInChI=1S/C23H30O3Si/c1-17-15-24-22-21(17)20(16-25-22)26-27(23(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-22H,15-16H2,1-4H3/t17?,20-,21?,22?/m0/s1
InChIKeyQNFUPYWMMQFJFY-CSNNXXKCSA-N
MW382.58 g/mol
LogP3.57
Rot. Bonds4

About tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane

tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane (PubChem CID 159902587) has the molecular formula C23H30O3Si and a molecular weight of 382.58 g/mol. Its IUPAC name is tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane
PubChem CID159902587
Molecular FormulaC23H30O3Si
Molecular Weight382.58 g/mol
Exact Mass382.20
IUPAC Nametert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane
SMILESCC1COC2OC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C12
InChIInChI=1S/C23H30O3Si/c1-17-15-24-22-21(17)20(16-25-22)26-27(23(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-22H,15-16H2,1-4H3/t17?,20-,21?,22?/m0/s1
InChIKeyQNFUPYWMMQFJFY-CSNNXXKCSA-N
XLogP3.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane
CID 160925208
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
CID 11462313
(3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
CID 10738751

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane (CID 159902587) is tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane is CC1COC2OC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C12.
What is the InChIKey of tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane?
The InChIKey is QNFUPYWMMQFJFY-CSNNXXKCSA-N. The full InChI is InChI=1S/C23H30O3Si/c1-17-15-24-22-21(17)20(16-25-22)26-27(23(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-22H,15-16H2,1-4H3/t17?,20-,21?,22?/m0/s1.
What are the key properties of tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane?
tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane has a molecular weight of 382.58 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane is sourced from PubChem (CID 159902587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).