methyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane

C18H22O2Si — CID 174554209

IUPACmethyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane
SMILESC[SiH2]C1(c2ccc(Oc3ccccc3)cc2)CCCCO1
InChIInChI=1S/C18H22O2Si/c1-21-18(13-5-6-14-19-18)15-9-11-17(12-10-15)20-16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14,21H2,1H3
InChIKeyMXXBHGJPBFZKJH-UHFFFAOYSA-N
MW298.46 g/mol
LogP4.05
Rot. Bonds4

About methyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane

methyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane (PubChem CID 174554209) has the molecular formula C18H22O2Si and a molecular weight of 298.46 g/mol. Its IUPAC name is methyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane.

Molecular Properties

Compound Namemethyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane
PubChem CID174554209
Molecular FormulaC18H22O2Si
Molecular Weight298.46 g/mol
Exact Mass298.14
IUPAC Namemethyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane
SMILESC[SiH2]C1(c2ccc(Oc3ccccc3)cc2)CCCCO1
InChIInChI=1S/C18H22O2Si/c1-21-18(13-5-6-14-19-18)15-9-11-17(12-10-15)20-16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14,21H2,1H3
InChIKeyMXXBHGJPBFZKJH-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 54.05
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 methyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane?
The IUPAC name of methyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane (CID 174554209) is methyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane.
What is the SMILES notation for methyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane?
The canonical SMILES for methyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane is C[SiH2]C1(c2ccc(Oc3ccccc3)cc2)CCCCO1.
What is the InChIKey of methyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane?
The InChIKey is MXXBHGJPBFZKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2Si/c1-21-18(13-5-6-14-19-18)15-9-11-17(12-10-15)20-16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14,21H2,1H3.
What are the key properties of methyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane?
methyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane has a molecular weight of 298.46 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane is sourced from PubChem (CID 174554209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).