(4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol

C17H34O5Si — CID 158901547

IUPAC(4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
SMILESC[C@H](CO)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1O
InChIInChI=1S/C17H34O5Si/c1-11(9-18)15-12(19)8-13-14(21-15)10-20-23(22-13,16(2,3)4)17(5,6)7/h11-15,18-19H,8-10H2,1-7H3/t11-,12+,13-,14-,15+/m1/s1
InChIKeyWYRKFIRLSWZYMA-KHMAMNHCSA-N
MW346.54 g/mol
LogP2.59
Rot. Bonds2

About (4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol

(4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol (PubChem CID 158901547) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is (4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol.

Molecular Properties

Compound Name(4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
PubChem CID158901547
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name(4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
SMILESC[C@H](CO)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1O
InChIInChI=1S/C17H34O5Si/c1-11(9-18)15-12(19)8-13-14(21-15)10-20-23(22-13,16(2,3)4)17(5,6)7/h11-15,18-19H,8-10H2,1-7H3/t11-,12+,13-,14-,15+/m1/s1
InChIKeyWYRKFIRLSWZYMA-KHMAMNHCSA-N
XLogP2.59
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol with MolForge

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Launch Full Analysis

Related Compounds

[(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
CID 10962484
(3S)-3-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]butane-1,2-diol
CID 16680393
2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol
CID 56593726
10-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol
CID 58602333
2,2,6,7-Tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol
CID 59932901
[(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol
CID 71189081
(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol
CID 90296836
2-[[Butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol
CID 90351093
(2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol
CID 130240687
(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
CID 140857084
(3S)-3-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]butan-1-ol
CID 140857085
(4aR,6S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
CID 149171807

Frequently Asked Questions

What is the IUPAC name of (4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The IUPAC name of (4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol (CID 158901547) is (4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol.
What is the SMILES notation for (4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The canonical SMILES for (4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol is C[C@H](CO)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1O.
What is the InChIKey of (4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The InChIKey is WYRKFIRLSWZYMA-KHMAMNHCSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-11(9-18)15-12(19)8-13-14(21-15)10-20-23(22-13,16(2,3)4)17(5,6)7/h11-15,18-19H,8-10H2,1-7H3/t11-,12+,13-,14-,15+/m1/s1.
What are the key properties of (4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
(4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol has a molecular weight of 346.54 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol is sourced from PubChem (CID 158901547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).