(3-methylphenoxy)-tris(2-methylpropyl)silane

C19H34OSi — CID 532687

IUPAC(3-methylphenoxy)-tris(2-methylpropyl)silane
SMILESCc1cccc(O[Si](CC(C)C)(CC(C)C)CC(C)C)c1
InChIInChI=1S/C19H34OSi/c1-15(2)12-21(13-16(3)4,14-17(5)6)20-19-10-8-9-18(7)11-19/h8-11,15-17H,12-14H2,1-7H3
InChIKeyVRMRZTNGLCEIPW-UHFFFAOYSA-N
MW306.57 g/mol
LogP6.29
Rot. Bonds8

About (3-methylphenoxy)-tris(2-methylpropyl)silane

(3-methylphenoxy)-tris(2-methylpropyl)silane (PubChem CID 532687) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is (3-methylphenoxy)-tris(2-methylpropyl)silane.

Molecular Properties

Compound Name(3-methylphenoxy)-tris(2-methylpropyl)silane
PubChem CID532687
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name(3-methylphenoxy)-tris(2-methylpropyl)silane
SMILESCc1cccc(O[Si](CC(C)C)(CC(C)C)CC(C)C)c1
InChIInChI=1S/C19H34OSi/c1-15(2)12-21(13-16(3)4,14-17(5)6)20-19-10-8-9-18(7)11-19/h8-11,15-17H,12-14H2,1-7H3
InChIKeyVRMRZTNGLCEIPW-UHFFFAOYSA-N
XLogP6.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methylphenoxy)-tris(2-methylpropyl)silane?
The IUPAC name of (3-methylphenoxy)-tris(2-methylpropyl)silane (CID 532687) is (3-methylphenoxy)-tris(2-methylpropyl)silane.
What is the SMILES notation for (3-methylphenoxy)-tris(2-methylpropyl)silane?
The canonical SMILES for (3-methylphenoxy)-tris(2-methylpropyl)silane is Cc1cccc(O[Si](CC(C)C)(CC(C)C)CC(C)C)c1.
What is the InChIKey of (3-methylphenoxy)-tris(2-methylpropyl)silane?
The InChIKey is VRMRZTNGLCEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34OSi/c1-15(2)12-21(13-16(3)4,14-17(5)6)20-19-10-8-9-18(7)11-19/h8-11,15-17H,12-14H2,1-7H3.
What are the key properties of (3-methylphenoxy)-tris(2-methylpropyl)silane?
(3-methylphenoxy)-tris(2-methylpropyl)silane has a molecular weight of 306.57 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenoxy)-tris(2-methylpropyl)silane is sourced from PubChem (CID 532687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).