(5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol

C16H32O5Si — CID 101133967

IUPAC(5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol
SMILESCC1(C)OC[C@@]2(C[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O)CO2)O1
InChIInChI=1S/C16H32O5Si/c1-13(2,3)22(7,8)20-12-9-16(19-10-15(12,6)17)11-18-14(4,5)21-16/h12,17H,9-11H2,1-8H3/t12-,15-,16+/m0/s1
InChIKeyWJWIFHPZAHIKBE-VBNZEHGJSA-N
MW332.51 g/mol
LogP3.03
Rot. Bonds2

About (5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol

(5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol (PubChem CID 101133967) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is (5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name(5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol
PubChem CID101133967
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name(5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol
SMILESCC1(C)OC[C@@]2(C[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O)CO2)O1
InChIInChI=1S/C16H32O5Si/c1-13(2,3)22(7,8)20-12-9-16(19-10-15(12,6)17)11-18-14(4,5)21-16/h12,17H,9-11H2,1-8H3/t12-,15-,16+/m0/s1
InChIKeyWJWIFHPZAHIKBE-VBNZEHGJSA-N
XLogP3.03
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane
CID 58766039
tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
CID 87652053
tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
CID 102406518
[(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
CID 11291955
(1S,3S,4R,5S,7S,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dioxatricyclo[3.3.1.13,7]decane-1,3-diol
CID 139060551
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048
tert-butyl (3'aR,4S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-2'-oxospiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole]-3'-carboxylate
CID 58766059
[(3aR,6S,6aR)-5-ethynyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
CID 22831851
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2,2-dimethylcyclohexan-1-ol
CID 101333022
(2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol
CID 11558462
(1R,4S,7S,8S,9S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-8-(hydroxymethyl)-2,2,4-trimethyl-3-oxatricyclo[6.2.2.04,9]dodecane-7,9-diol
CID 101205734
(7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one
CID 101227252

Frequently Asked Questions

What is the IUPAC name of (5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol?
The IUPAC name of (5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol (CID 101133967) is (5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for (5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol?
The canonical SMILES for (5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol is CC1(C)OC[C@@]2(C[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O)CO2)O1.
What is the InChIKey of (5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol?
The InChIKey is WJWIFHPZAHIKBE-VBNZEHGJSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-13(2,3)22(7,8)20-12-9-16(19-10-15(12,6)17)11-18-14(4,5)21-16/h12,17H,9-11H2,1-8H3/t12-,15-,16+/m0/s1.
What are the key properties of (5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol?
(5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol has a molecular weight of 332.51 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 101133967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).