(4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one

C18H32O6Si — CID 102380500

IUPAC(4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one
SMILESCC1(C)O[C@@H]2C[C@@]3(COC(=O)O3)CO[C@@H]2C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O6Si/c1-16(2,3)25(6,7)24-14-8-12-13(22-17(14,4)5)9-18(10-20-12)11-21-15(19)23-18/h12-14H,8-11H2,1-7H3/t12-,13-,14-,18+/m1/s1
InChIKeyJLOVXOLZPNWJAH-MMQJMDILSA-N
MW372.53 g/mol
LogP3.64
Rot. Bonds2

About (4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one

(4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one (PubChem CID 102380500) has the molecular formula C18H32O6Si and a molecular weight of 372.53 g/mol. Its IUPAC name is (4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one.

Molecular Properties

Compound Name(4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one
PubChem CID102380500
Molecular FormulaC18H32O6Si
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Name(4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one
SMILESCC1(C)O[C@@H]2C[C@@]3(COC(=O)O3)CO[C@@H]2C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O6Si/c1-16(2,3)25(6,7)24-14-8-12-13(22-17(14,4)5)9-18(10-20-12)11-21-15(19)23-18/h12-14H,8-11H2,1-7H3/t12-,13-,14-,18+/m1/s1
InChIKeyJLOVXOLZPNWJAH-MMQJMDILSA-N
XLogP3.64
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one with MolForge

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Related Compounds

[(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane
CID 102212917
tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
CID 134940741
tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
CID 135024962
tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
CID 135055285
tert-butyl-[[(4S,10S,12R)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
CID 135056052
[(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate
CID 11598781
[(2R,4R,5R,6R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102333493
2-[(3R,4S,5R,7R,8S,9R,11R)-8-acetyloxy-5-[(2R)-3-acetyloxy-2-methylpropyl]-4-di(propan-2-yl)silyloxy-1-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-11-yl]ethyl 2,2-dimethylpropanoate
CID 157801018
2-[(3R,4S,5R,7R,8S,9R,11R)-8-acetyloxy-5-(3-acetyloxy-2-methylpropyl)-4-di(propan-2-yl)silyloxy-1-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-11-yl]ethyl 2,2-dimethylpropanoate
CID 160478989
[6,7-Diacetyloxy-2-[2-[decyl(dimethyl)silyl]ethoxy]-2-methyl-1,3,9-trioxaspiro[4.5]decan-8-yl]methyl acetate
CID 173702202
tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane]-2-yl]butan-2-yl]oxy-dimethylsilane
CID 173962088
[(2R)-4-[(3aS,5R,7S,7aS)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane]-2-yl]-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane
CID 173962112

Frequently Asked Questions

What is the IUPAC name of (4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one?
The IUPAC name of (4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one (CID 102380500) is (4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one.
What is the SMILES notation for (4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one?
The canonical SMILES for (4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one is CC1(C)O[C@@H]2C[C@@]3(COC(=O)O3)CO[C@@H]2C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one?
The InChIKey is JLOVXOLZPNWJAH-MMQJMDILSA-N. The full InChI is InChI=1S/C18H32O6Si/c1-16(2,3)25(6,7)24-14-8-12-13(22-17(14,4)5)9-18(10-20-12)11-21-15(19)23-18/h12-14H,8-11H2,1-7H3/t12-,13-,14-,18+/m1/s1.
What are the key properties of (4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one?
(4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one has a molecular weight of 372.53 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one is sourced from PubChem (CID 102380500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).