[4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol

C16H32O2Si — CID 171844363

IUPAC[4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CO)C12CCCC2
InChIInChI=1S/C16H32O2Si/c1-15(2,3)19(4,5)18-14-9-8-13(12-17)16(14)10-6-7-11-16/h13-14,17H,6-12H2,1-5H3
InChIKeyVAQCGHOYLFJVQD-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.34
Rot. Bonds3

About [4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol

[4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol (PubChem CID 171844363) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol
PubChem CID171844363
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CO)C12CCCC2
InChIInChI=1S/C16H32O2Si/c1-15(2,3)19(4,5)18-14-9-8-13(12-17)16(14)10-6-7-11-16/h13-14,17H,6-12H2,1-5H3
InChIKeyVAQCGHOYLFJVQD-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-ol
CID 15168731
(1S,3aR,4S,7aS)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-ol
CID 70794759
(1S,3aS,3bR,6aR,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-4-ol
CID 11595524
(1S,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol
CID 134864718
(1S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol
CID 134864952
(1S,3aS,4R,6aS,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-4-ol
CID 134865091
(1S,3aS,3bS,4R,6aS,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-4-ol
CID 134889098
(1R,3aR,4S,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-ol
CID 166444741
trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol
CID 10497387
[(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol
CID 10612133
(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol
CID 11119640
(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol
CID 58184441

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol (CID 171844363) is [4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol is CC(C)(C)[Si](C)(C)OC1CCC(CO)C12CCCC2.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol?
The InChIKey is VAQCGHOYLFJVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-15(2,3)19(4,5)18-14-9-8-13(12-17)16(14)10-6-7-11-16/h13-14,17H,6-12H2,1-5H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol?
[4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol has a molecular weight of 284.52 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol is sourced from PubChem (CID 171844363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).