tris(2-methylpropyl)-octoxysilane

C20H44OSi — CID 612111

IUPACtris(2-methylpropyl)-octoxysilane
SMILESCCCCCCCCO[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C20H44OSi/c1-8-9-10-11-12-13-14-21-22(15-18(2)3,16-19(4)5)17-20(6)7/h18-20H,8-17H2,1-7H3
InChIKeyPLOKNWDDPHGFAH-UHFFFAOYSA-N
MW328.66 g/mol
LogP7.28
Rot. Bonds14

About tris(2-methylpropyl)-octoxysilane

tris(2-methylpropyl)-octoxysilane (PubChem CID 612111) has the molecular formula C20H44OSi and a molecular weight of 328.66 g/mol. Its IUPAC name is tris(2-methylpropyl)-octoxysilane.

Molecular Properties

Compound Nametris(2-methylpropyl)-octoxysilane
PubChem CID612111
Molecular FormulaC20H44OSi
Molecular Weight328.66 g/mol
Exact Mass328.32
IUPAC Nametris(2-methylpropyl)-octoxysilane
SMILESCCCCCCCCO[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C20H44OSi/c1-8-9-10-11-12-13-14-21-22(15-18(2)3,16-19(4)5)17-20(6)7/h18-20H,8-17H2,1-7H3
InChIKeyPLOKNWDDPHGFAH-UHFFFAOYSA-N
XLogP7.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.66
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

decoxy(triethyl)silane
CID 523468
heptoxy-dimethyl-(2-methylpropoxy)silane
CID 91736684
docosoxy-dimethyl-(2-methylpropoxy)silane
CID 91745391
tributyl(decoxy)silane
CID 523467
heptadecoxy(tripropyl)silane
CID 632797
diethyl-hexadecoxy-(2-methylpropoxy)silane
CID 91744158
2-methyl-3-trihexadecoxysilylpropan-1-amine
CID 87404816
3-(dodecoxy-hexadecoxy-tetradecoxysilyl)-2-methylpropane-1-thiol
CID 87098809
trichloro(hexoxy)silane
CID 524762
heptoxy-dimethyl-(4-methylpentoxy)silane
CID 91739178
hexadecoxy-dimethyl-(4-methylpentoxy)silane
CID 91744434
decyl trihexyl silicate
CID 141280760

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl)-octoxysilane?
The IUPAC name of tris(2-methylpropyl)-octoxysilane (CID 612111) is tris(2-methylpropyl)-octoxysilane.
What is the SMILES notation for tris(2-methylpropyl)-octoxysilane?
The canonical SMILES for tris(2-methylpropyl)-octoxysilane is CCCCCCCCO[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of tris(2-methylpropyl)-octoxysilane?
The InChIKey is PLOKNWDDPHGFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44OSi/c1-8-9-10-11-12-13-14-21-22(15-18(2)3,16-19(4)5)17-20(6)7/h18-20H,8-17H2,1-7H3.
What are the key properties of tris(2-methylpropyl)-octoxysilane?
tris(2-methylpropyl)-octoxysilane has a molecular weight of 328.66 g/mol, XLogP of 7.28, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropyl)-octoxysilane is sourced from PubChem (CID 612111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).