[2-(4-propoxyphenyl)oxan-2-yl]silane

C14H22O2Si — CID 123149147

IUPAC[2-(4-propoxyphenyl)oxan-2-yl]silane
SMILESCCCOc1ccc(C2([SiH3])CCCCO2)cc1
InChIInChI=1S/C14H22O2Si/c1-2-10-15-13-7-5-12(6-8-13)14(17)9-3-4-11-16-14/h5-8H,2-4,9-11H2,1,17H3
InChIKeyDAJFASFRZOAWEG-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.19
Rot. Bonds4

About [2-(4-propoxyphenyl)oxan-2-yl]silane

[2-(4-propoxyphenyl)oxan-2-yl]silane (PubChem CID 123149147) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is [2-(4-propoxyphenyl)oxan-2-yl]silane.

Molecular Properties

Compound Name[2-(4-propoxyphenyl)oxan-2-yl]silane
PubChem CID123149147
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name[2-(4-propoxyphenyl)oxan-2-yl]silane
SMILESCCCOc1ccc(C2([SiH3])CCCCO2)cc1
InChIInChI=1S/C14H22O2Si/c1-2-10-15-13-7-5-12(6-8-13)14(17)9-3-4-11-16-14/h5-8H,2-4,9-11H2,1,17H3
InChIKeyDAJFASFRZOAWEG-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
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 [2-(4-propoxyphenyl)oxan-2-yl]silane?
The IUPAC name of [2-(4-propoxyphenyl)oxan-2-yl]silane (CID 123149147) is [2-(4-propoxyphenyl)oxan-2-yl]silane.
What is the SMILES notation for [2-(4-propoxyphenyl)oxan-2-yl]silane?
The canonical SMILES for [2-(4-propoxyphenyl)oxan-2-yl]silane is CCCOc1ccc(C2([SiH3])CCCCO2)cc1.
What is the InChIKey of [2-(4-propoxyphenyl)oxan-2-yl]silane?
The InChIKey is DAJFASFRZOAWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-2-10-15-13-7-5-12(6-8-13)14(17)9-3-4-11-16-14/h5-8H,2-4,9-11H2,1,17H3.
What are the key properties of [2-(4-propoxyphenyl)oxan-2-yl]silane?
[2-(4-propoxyphenyl)oxan-2-yl]silane has a molecular weight of 250.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propoxyphenyl)oxan-2-yl]silane is sourced from PubChem (CID 123149147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).