dimethoxy-(2-phenyloxan-2-yl)silane

C13H20O3Si — CID 174844797

IUPACdimethoxy-(2-phenyloxan-2-yl)silane
SMILESCO[SiH](OC)C1(c2ccccc2)CCCCO1
InChIInChI=1S/C13H20O3Si/c1-14-17(15-2)13(10-6-7-11-16-13)12-8-4-3-5-9-12/h3-5,8-9,17H,6-7,10-11H2,1-2H3
InChIKeyKPBBJPLYJGWCQW-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.13
Rot. Bonds4

About dimethoxy-(2-phenyloxan-2-yl)silane

dimethoxy-(2-phenyloxan-2-yl)silane (PubChem CID 174844797) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is dimethoxy-(2-phenyloxan-2-yl)silane.

Molecular Properties

Compound Namedimethoxy-(2-phenyloxan-2-yl)silane
PubChem CID174844797
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Namedimethoxy-(2-phenyloxan-2-yl)silane
SMILESCO[SiH](OC)C1(c2ccccc2)CCCCO1
InChIInChI=1S/C13H20O3Si/c1-14-17(15-2)13(10-6-7-11-16-13)12-8-4-3-5-9-12/h3-5,8-9,17H,6-7,10-11H2,1-2H3
InChIKeyKPBBJPLYJGWCQW-UHFFFAOYSA-N
XLogP2.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 dimethoxy-(2-phenyloxan-2-yl)silane?
The IUPAC name of dimethoxy-(2-phenyloxan-2-yl)silane (CID 174844797) is dimethoxy-(2-phenyloxan-2-yl)silane.
What is the SMILES notation for dimethoxy-(2-phenyloxan-2-yl)silane?
The canonical SMILES for dimethoxy-(2-phenyloxan-2-yl)silane is CO[SiH](OC)C1(c2ccccc2)CCCCO1.
What is the InChIKey of dimethoxy-(2-phenyloxan-2-yl)silane?
The InChIKey is KPBBJPLYJGWCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-14-17(15-2)13(10-6-7-11-16-13)12-8-4-3-5-9-12/h3-5,8-9,17H,6-7,10-11H2,1-2H3.
What are the key properties of dimethoxy-(2-phenyloxan-2-yl)silane?
dimethoxy-(2-phenyloxan-2-yl)silane has a molecular weight of 252.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-(2-phenyloxan-2-yl)silane is sourced from PubChem (CID 174844797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).