[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol

C16H32O2Si — CID 10062451

IUPAC[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]12CCCC2CO
InChIInChI=1S/C16H32O2Si/c1-15(2,3)19(4,5)18-14-9-7-11-16(14)10-6-8-13(16)12-17/h13-14,17H,6-12H2,1-5H3/t13?,14-,16+/m0/s1
InChIKeyVUKJKAKXRPZPGG-JGKCFBKVSA-N
MW284.52 g/mol
LogP4.34
Rot. Bonds3

About [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol

[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol (PubChem CID 10062451) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol.

Molecular Properties

Compound Name[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol
PubChem CID10062451
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]12CCCC2CO
InChIInChI=1S/C16H32O2Si/c1-15(2,3)19(4,5)18-14-9-7-11-16(14)10-6-8-13(16)12-17/h13-14,17H,6-12H2,1-5H3/t13?,14-,16+/m0/s1
InChIKeyVUKJKAKXRPZPGG-JGKCFBKVSA-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

(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
1-Cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol
CID 58212165
[(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
CID 59264421
3-[(1S,2S,3R,5S)-2-[3,8-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-3,5-dimethylcyclopentyl]propan-1-ol
CID 68010317
1-[1-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]-2-[1-(hydroxymethyl)cyclopentyl]ethane-1,2-diol
CID 68181525
[(1R,3R)-3-[(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
CID 70657703
[(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
CID 70658160
(1S,3aR,4S,6aR)-4-tri(propan-2-yl)silyloxy-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol
CID 71000983
[4-[Tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol
CID 171844363
[7-[Tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol
CID 171844502
[(1R,2R)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclopentyl]methanol
CID 173340818

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol?
The IUPAC name of [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol (CID 10062451) is [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol.
What is the SMILES notation for [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol?
The canonical SMILES for [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]12CCCC2CO.
What is the InChIKey of [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol?
The InChIKey is VUKJKAKXRPZPGG-JGKCFBKVSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-15(2,3)19(4,5)18-14-9-7-11-16(14)10-6-8-13(16)12-17/h13-14,17H,6-12H2,1-5H3/t13?,14-,16+/m0/s1.
What are the key properties of [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol?
[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-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 [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol is sourced from PubChem (CID 10062451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).