3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol

C9H20O2Si — CID 19372490

IUPAC3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol
SMILESCC1CCC[Si](C)(CCCO)O1
InChIInChI=1S/C9H20O2Si/c1-9-5-3-7-12(2,11-9)8-4-6-10/h9-10H,3-8H2,1-2H3
InChIKeyLXOBLXPACFCPCG-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.14
Rot. Bonds3

About 3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol

3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol (PubChem CID 19372490) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol
PubChem CID19372490
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol
SMILESCC1CCC[Si](C)(CCCO)O1
InChIInChI=1S/C9H20O2Si/c1-9-5-3-7-12(2,11-9)8-4-6-10/h9-10H,3-8H2,1-2H3
InChIKeyLXOBLXPACFCPCG-UHFFFAOYSA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol?
The IUPAC name of 3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol (CID 19372490) is 3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol.
What is the SMILES notation for 3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol?
The canonical SMILES for 3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol is CC1CCC[Si](C)(CCCO)O1.
What is the InChIKey of 3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol?
The InChIKey is LXOBLXPACFCPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-9-5-3-7-12(2,11-9)8-4-6-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol?
3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol has a molecular weight of 188.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyloxasilinan-2-yl)propan-1-ol is sourced from PubChem (CID 19372490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).