butyl-dimethyl-(9H-xanthen-9-yloxy)silane

C19H24O2Si — CID 70114152

IUPACbutyl-dimethyl-(9H-xanthen-9-yloxy)silane
SMILESCCCC[Si](C)(C)OC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H24O2Si/c1-4-5-14-22(2,3)21-19-15-10-6-8-12-17(15)20-18-13-9-7-11-16(18)19/h6-13,19H,4-5,14H2,1-3H3
InChIKeyXZSVHMRPQCYNGW-UHFFFAOYSA-N
MW312.49 g/mol
LogP5.90
Rot. Bonds5

About butyl-dimethyl-(9H-xanthen-9-yloxy)silane

butyl-dimethyl-(9H-xanthen-9-yloxy)silane (PubChem CID 70114152) has the molecular formula C19H24O2Si and a molecular weight of 312.49 g/mol. Its IUPAC name is butyl-dimethyl-(9H-xanthen-9-yloxy)silane.

Molecular Properties

Compound Namebutyl-dimethyl-(9H-xanthen-9-yloxy)silane
PubChem CID70114152
Molecular FormulaC19H24O2Si
Molecular Weight312.49 g/mol
Exact Mass312.15
IUPAC Namebutyl-dimethyl-(9H-xanthen-9-yloxy)silane
SMILESCCCC[Si](C)(C)OC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H24O2Si/c1-4-5-14-22(2,3)21-19-15-10-6-8-12-17(15)20-18-13-9-7-11-16(18)19/h6-13,19H,4-5,14H2,1-3H3
InChIKeyXZSVHMRPQCYNGW-UHFFFAOYSA-N
XLogP5.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.49
LogP ≤ 55.90
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 butyl-dimethyl-(9H-xanthen-9-yloxy)silane?
The IUPAC name of butyl-dimethyl-(9H-xanthen-9-yloxy)silane (CID 70114152) is butyl-dimethyl-(9H-xanthen-9-yloxy)silane.
What is the SMILES notation for butyl-dimethyl-(9H-xanthen-9-yloxy)silane?
The canonical SMILES for butyl-dimethyl-(9H-xanthen-9-yloxy)silane is CCCC[Si](C)(C)OC1c2ccccc2Oc2ccccc21.
What is the InChIKey of butyl-dimethyl-(9H-xanthen-9-yloxy)silane?
The InChIKey is XZSVHMRPQCYNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2Si/c1-4-5-14-22(2,3)21-19-15-10-6-8-12-17(15)20-18-13-9-7-11-16(18)19/h6-13,19H,4-5,14H2,1-3H3.
What are the key properties of butyl-dimethyl-(9H-xanthen-9-yloxy)silane?
butyl-dimethyl-(9H-xanthen-9-yloxy)silane has a molecular weight of 312.49 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-(9H-xanthen-9-yloxy)silane is sourced from PubChem (CID 70114152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).