2-propoxy-2-propyloxasilinane-5,6-diol

C10H22O4Si — CID 174727086

IUPAC2-propoxy-2-propyloxasilinane-5,6-diol
SMILESCCCO[Si]1(CCC)CCC(O)C(O)O1
InChIInChI=1S/C10H22O4Si/c1-3-6-13-15(7-4-2)8-5-9(11)10(12)14-15/h9-12H,3-8H2,1-2H3
InChIKeyXSDYCQWRRULILK-UHFFFAOYSA-N
MW234.37 g/mol
LogP1.36
Rot. Bonds5

About 2-propoxy-2-propyloxasilinane-5,6-diol

2-propoxy-2-propyloxasilinane-5,6-diol (PubChem CID 174727086) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-propoxy-2-propyloxasilinane-5,6-diol.

Molecular Properties

Compound Name2-propoxy-2-propyloxasilinane-5,6-diol
PubChem CID174727086
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Name2-propoxy-2-propyloxasilinane-5,6-diol
SMILESCCCO[Si]1(CCC)CCC(O)C(O)O1
InChIInChI=1S/C10H22O4Si/c1-3-6-13-15(7-4-2)8-5-9(11)10(12)14-15/h9-12H,3-8H2,1-2H3
InChIKeyXSDYCQWRRULILK-UHFFFAOYSA-N
XLogP1.36
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 51.36
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

2-ethoxy-2-propyloxasilinan-6-amine
CID 175286060
difluoro(hydroxy)silane;6-fluoro-2-methyl-2-propyloxasilinane
CID 174571975
2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 68657067
(2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol
CID 121254748
2-propoxycyclopropan-1-ol
CID 174614862
(1S,2R,3R,4S,5S,6R)-3,4,5,6-tetrabutoxycyclohexane-1,2-diol
CID 70406349
3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol
CID 76621622
2,6-dipropoxyoxane
CID 524398
(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
CID 130756919
2-methyl-2-propoxyoxasilinane
CID 70135100
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol
CID 139318361
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-2-propyloxasilinane-5,6-diol?
The IUPAC name of 2-propoxy-2-propyloxasilinane-5,6-diol (CID 174727086) is 2-propoxy-2-propyloxasilinane-5,6-diol.
What is the SMILES notation for 2-propoxy-2-propyloxasilinane-5,6-diol?
The canonical SMILES for 2-propoxy-2-propyloxasilinane-5,6-diol is CCCO[Si]1(CCC)CCC(O)C(O)O1.
What is the InChIKey of 2-propoxy-2-propyloxasilinane-5,6-diol?
The InChIKey is XSDYCQWRRULILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-3-6-13-15(7-4-2)8-5-9(11)10(12)14-15/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-propoxy-2-propyloxasilinane-5,6-diol?
2-propoxy-2-propyloxasilinane-5,6-diol has a molecular weight of 234.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-2-propyloxasilinane-5,6-diol is sourced from PubChem (CID 174727086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).