(2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol

C9H20O2Si — CID 15139772

IUPAC(2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol
SMILESC[C@@H]1CO[Si](C)(C)[C@H]1[C@@H](C)CO
InChIInChI=1S/C9H20O2Si/c1-7(5-10)9-8(2)6-11-12(9,3)4/h7-10H,5-6H2,1-4H3/t7-,8+,9-/m0/s1
InChIKeyKXGWPIXRTSPZDA-YIZRAAEISA-N
MW188.34 g/mol
LogP1.86
Rot. Bonds2

About (2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol

(2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol (PubChem CID 15139772) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is (2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol
PubChem CID15139772
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol
SMILESC[C@@H]1CO[Si](C)(C)[C@H]1[C@@H](C)CO
InChIInChI=1S/C9H20O2Si/c1-7(5-10)9-8(2)6-11-12(9,3)4/h7-10H,5-6H2,1-4H3/t7-,8+,9-/m0/s1
InChIKeyKXGWPIXRTSPZDA-YIZRAAEISA-N
XLogP1.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol with MolForge

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Related Compounds

2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol
CID 89374322
2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol
CID 69400838
(3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol
CID 10441964
2-(3-methylcyclopentyl)propan-1-ol
CID 14039414
bis(2-methyloxirane);(2R)-propane-1,2-diol;hydrate
CID 159169454
(4S,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methyloxolan-2-one
CID 102210599
5-(1-hydroxypropan-2-yl)oxolan-3-ol
CID 20778564
(3R,5S,6S)-6-[(2S)-1-hydroxypropan-2-yl]-3,5-dimethyloxan-2-one
CID 10997748
(2S)-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propan-1-ol
CID 129384933
(2S)-2-[(4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propan-1-ol
CID 11054609
6-(1-hydroxypropan-2-yl)-3-methyloxane-2-carboxylic acid
CID 14781330
(2R)-2-cyclohexylpropan-1-ol
CID 10176192

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol?
The IUPAC name of (2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol (CID 15139772) is (2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol is C[C@@H]1CO[Si](C)(C)[C@H]1[C@@H](C)CO.
What is the InChIKey of (2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol?
The InChIKey is KXGWPIXRTSPZDA-YIZRAAEISA-N. The full InChI is InChI=1S/C9H20O2Si/c1-7(5-10)9-8(2)6-11-12(9,3)4/h7-10H,5-6H2,1-4H3/t7-,8+,9-/m0/s1.
What are the key properties of (2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol?
(2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol has a molecular weight of 188.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol is sourced from PubChem (CID 15139772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).