[cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane

C20H42OSi — CID 22447702

IUPAC[cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane
SMILESCCOC(C1CCCCCCC1)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H42OSi/c1-8-21-20(19-14-12-10-9-11-13-15-19)22(16(2)3,17(4)5)18(6)7/h16-20H,8-15H2,1-7H3
InChIKeyZBZGDRRTYOEFGD-UHFFFAOYSA-N
MW326.64 g/mol
LogP6.97
Rot. Bonds7

About [cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane

[cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane (PubChem CID 22447702) has the molecular formula C20H42OSi and a molecular weight of 326.64 g/mol. Its IUPAC name is [cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane
PubChem CID22447702
Molecular FormulaC20H42OSi
Molecular Weight326.64 g/mol
Exact Mass326.30
IUPAC Name[cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane
SMILESCCOC(C1CCCCCCC1)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H42OSi/c1-8-21-20(19-14-12-10-9-11-13-15-19)22(16(2)3,17(4)5)18(6)7/h16-20H,8-15H2,1-7H3
InChIKeyZBZGDRRTYOEFGD-UHFFFAOYSA-N
XLogP6.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.64
LogP ≤ 56.97
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 [cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane?
The IUPAC name of [cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane (CID 22447702) is [cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane?
The canonical SMILES for [cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane is CCOC(C1CCCCCCC1)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane?
The InChIKey is ZBZGDRRTYOEFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42OSi/c1-8-21-20(19-14-12-10-9-11-13-15-19)22(16(2)3,17(4)5)18(6)7/h16-20H,8-15H2,1-7H3.
What are the key properties of [cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane?
[cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane has a molecular weight of 326.64 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclooctyl(ethoxy)methyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 22447702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).