(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one

C15H28O4Si — CID 134971127

IUPAC(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]12CC(=O)C(O)C2O
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(4,5)19-11-7-6-8-15(11)9-10(16)12(17)13(15)18/h11-13,17-18H,6-9H2,1-5H3/t11-,12?,13?,15+/m0/s1
InChIKeySVHGPQINBCKXTG-LFUGVXIPSA-N
MW300.47 g/mol
LogP2.24
Rot. Bonds2

About (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one

(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one (PubChem CID 134971127) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one
PubChem CID134971127
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]12CC(=O)C(O)C2O
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(4,5)19-11-7-6-8-15(11)9-10(16)12(17)13(15)18/h11-13,17-18H,6-9H2,1-5H3/t11-,12?,13?,15+/m0/s1
InChIKeySVHGPQINBCKXTG-LFUGVXIPSA-N
XLogP2.24
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyspiro[4.4]nonan-2-one
CID 11335113
(1S,2'R,4R,5S)-2'-[tert-butyl(dimethyl)silyl]oxyspiro[6-oxabicyclo[3.1.0]hexane-4,1'-cyclopentane]-2-one
CID 11437525
(4S,5S,9R)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[4.4]nonan-2-one
CID 11315513
(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid
CID 11779460
(3R,4S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxy-1-oxaspiro[4.4]nonan-2-one
CID 117070993
4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
CID 90036942
9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10445764
(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11369575
[(2'S,3aR,4S,6S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-yl] trifluoromethanesulfonate
CID 101385416
tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane
CID 117070880
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2,2-dimethylcyclohexan-1-ol
CID 101333022
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one
CID 10755508

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one?
The IUPAC name of (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one (CID 134971127) is (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one.
What is the SMILES notation for (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one?
The canonical SMILES for (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one is CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]12CC(=O)C(O)C2O.
What is the InChIKey of (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one?
The InChIKey is SVHGPQINBCKXTG-LFUGVXIPSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-14(2,3)20(4,5)19-11-7-6-8-15(11)9-10(16)12(17)13(15)18/h11-13,17-18H,6-9H2,1-5H3/t11-,12?,13?,15+/m0/s1.
What are the key properties of (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one?
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one has a molecular weight of 300.47 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one is sourced from PubChem (CID 134971127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).