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

C21H44OSi — CID 22447587

IUPAC[cyclononyl(ethoxy)methyl]-tri(propan-2-yl)silane
SMILESCCOC(C1CCCCCCCC1)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H44OSi/c1-8-22-21(20-15-13-11-9-10-12-14-16-20)23(17(2)3,18(4)5)19(6)7/h17-21H,8-16H2,1-7H3
InChIKeyOHDBZXPZPXJWEW-UHFFFAOYSA-N
MW340.67 g/mol
LogP7.36
Rot. Bonds7

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

[cyclononyl(ethoxy)methyl]-tri(propan-2-yl)silane (PubChem CID 22447587) has the molecular formula C21H44OSi and a molecular weight of 340.67 g/mol. Its IUPAC name is [cyclononyl(ethoxy)methyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[cyclononyl(ethoxy)methyl]-tri(propan-2-yl)silane
PubChem CID22447587
Molecular FormulaC21H44OSi
Molecular Weight340.67 g/mol
Exact Mass340.32
IUPAC Name[cyclononyl(ethoxy)methyl]-tri(propan-2-yl)silane
SMILESCCOC(C1CCCCCCCC1)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H44OSi/c1-8-22-21(20-15-13-11-9-10-12-14-16-20)23(17(2)3,18(4)5)19(6)7/h17-21H,8-16H2,1-7H3
InChIKeyOHDBZXPZPXJWEW-UHFFFAOYSA-N
XLogP7.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.67
LogP ≤ 57.36
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 [cyclononyl(ethoxy)methyl]-tri(propan-2-yl)silane?
The IUPAC name of [cyclononyl(ethoxy)methyl]-tri(propan-2-yl)silane (CID 22447587) is [cyclononyl(ethoxy)methyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [cyclononyl(ethoxy)methyl]-tri(propan-2-yl)silane?
The canonical SMILES for [cyclononyl(ethoxy)methyl]-tri(propan-2-yl)silane is CCOC(C1CCCCCCCC1)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [cyclononyl(ethoxy)methyl]-tri(propan-2-yl)silane?
The InChIKey is OHDBZXPZPXJWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44OSi/c1-8-22-21(20-15-13-11-9-10-12-14-16-20)23(17(2)3,18(4)5)19(6)7/h17-21H,8-16H2,1-7H3.
What are the key properties of [cyclononyl(ethoxy)methyl]-tri(propan-2-yl)silane?
[cyclononyl(ethoxy)methyl]-tri(propan-2-yl)silane has a molecular weight of 340.67 g/mol, XLogP of 7.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclononyl(ethoxy)methyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 22447587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).