(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol

C16H32O2Si — CID 11119640

IUPAC(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol
SMILESC[Si](C)(C)C[C@@H]1CCC2(CCCC2)[C@]1(O)CCCO
InChIInChI=1S/C16H32O2Si/c1-19(2,3)13-14-7-11-15(8-4-5-9-15)16(14,18)10-6-12-17/h14,17-18H,4-13H2,1-3H3/t14-,16-/m0/s1
InChIKeyLOHAHQXGTKNOBK-HOCLYGCPSA-N
MW284.52 g/mol
LogP3.80
Rot. Bonds5

About (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol

(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol (PubChem CID 11119640) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol.

Molecular Properties

Compound Name(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol
PubChem CID11119640
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol
SMILESC[Si](C)(C)C[C@@H]1CCC2(CCCC2)[C@]1(O)CCCO
InChIInChI=1S/C16H32O2Si/c1-19(2,3)13-14-7-11-15(8-4-5-9-15)16(14,18)10-6-12-17/h14,17-18H,4-13H2,1-3H3/t14-,16-/m0/s1
InChIKeyLOHAHQXGTKNOBK-HOCLYGCPSA-N
XLogP3.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
CID 59264421
(1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol
CID 59483107
[(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
[4-[Tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-1-yl]methanol
CID 171844363
[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol
CID 10062451
[(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-9-yl]methanol
CID 10107974
(1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol
CID 10590512
2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol
CID 11012111
(1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol
CID 11208822
cis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol
CID 11772931
(1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol
CID 132524697

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol?
The IUPAC name of (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol (CID 11119640) is (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol.
What is the SMILES notation for (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol?
The canonical SMILES for (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol is C[Si](C)(C)C[C@@H]1CCC2(CCCC2)[C@]1(O)CCCO.
What is the InChIKey of (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol?
The InChIKey is LOHAHQXGTKNOBK-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-19(2,3)13-14-7-11-15(8-4-5-9-15)16(14,18)10-6-12-17/h14,17-18H,4-13H2,1-3H3/t14-,16-/m0/s1.
What are the key properties of (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol?
(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol has a molecular weight of 284.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol is sourced from PubChem (CID 11119640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).