(3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one

C22H44O7Si2 — CID 101362832

IUPAC(3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]2[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@]2(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C22H44O7Si2/c1-19(2,3)30(9,10)25-13-15(23)16-17-22(18(24)27-16,29-21(7,8)28-17)14-26-31(11,12)20(4,5)6/h15-17,23H,13-14H2,1-12H3/t15-,16-,17+,22+/m1/s1
InChIKeyNFHJWPFPDIVQDV-FSNCLGKMSA-N
MW476.76 g/mol
LogP4.21
Rot. Bonds7

About (3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one

(3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one (PubChem CID 101362832) has the molecular formula C22H44O7Si2 and a molecular weight of 476.76 g/mol. Its IUPAC name is (3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
PubChem CID101362832
Molecular FormulaC22H44O7Si2
Molecular Weight476.76 g/mol
Exact Mass476.26
IUPAC Name(3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]2[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@]2(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C22H44O7Si2/c1-19(2,3)30(9,10)25-13-15(23)16-17-22(18(24)27-16,29-21(7,8)28-17)14-26-31(11,12)20(4,5)6/h15-17,23H,13-14H2,1-12H3/t15-,16-,17+,22+/m1/s1
InChIKeyNFHJWPFPDIVQDV-FSNCLGKMSA-N
XLogP4.21
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.76
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one with MolForge

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Related Compounds

(3aS,6R,6aS)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 14106432
(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 173787690
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolane-2-carboxylate
CID 14483580
2C-Hydroxymethyl-2,3:5,6-di-O-isopropylidene-D-talono-1,4-lactone
CID 92132409
methyl (3aR,5S,6S,6aR)-6-hydroxy-2,2,3a,6a-tetramethyl-5,6-dihydrofuro[2,3-d][1,3]dioxole-5-carboxylate
CID 134916387
methyl (1S,2R,4R,5R,6S,7R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-11-oxo-3,8,10,12-tetraoxatricyclo[5.3.3.01,7]tridecane-2-carboxylate
CID 134999130
2,2:5,6-Di-O-isopropylidene-2-C-hydroxymethyl-D-glucono-1,4-lactone
CID 139067157
(3aR,6S,6aR)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 11045839
(3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 14106431
(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2,4-trimethyl-1,3-dioxolane-4-carboxylic acid
CID 53941929
(3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-(2-hydroxyethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
CID 67836117
(3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
CID 67941935

Frequently Asked Questions

What is the IUPAC name of (3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The IUPAC name of (3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one (CID 101362832) is (3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for (3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for (3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one is CC1(C)O[C@H]2[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@]2(CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The InChIKey is NFHJWPFPDIVQDV-FSNCLGKMSA-N. The full InChI is InChI=1S/C22H44O7Si2/c1-19(2,3)30(9,10)25-13-15(23)16-17-22(18(24)27-16,29-21(7,8)28-17)14-26-31(11,12)20(4,5)6/h15-17,23H,13-14H2,1-12H3/t15-,16-,17+,22+/m1/s1.
What are the key properties of (3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
(3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one has a molecular weight of 476.76 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,6aS)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 101362832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).