2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane

C20H42OSi — CID 70179025

IUPAC2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](CCOCC1CCCCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C20H42OSi/c1-17(2)22(18(3)4,19(5)6)15-14-21-16-20-12-10-8-7-9-11-13-20/h17-20H,7-16H2,1-6H3
InChIKeyIFUYYKVTRWCWRT-UHFFFAOYSA-N
MW326.64 g/mol
LogP7.04
Rot. Bonds8

About 2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane

2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane (PubChem CID 70179025) has the molecular formula C20H42OSi and a molecular weight of 326.64 g/mol. Its IUPAC name is 2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane
PubChem CID70179025
Molecular FormulaC20H42OSi
Molecular Weight326.64 g/mol
Exact Mass326.30
IUPAC Name2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](CCOCC1CCCCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C20H42OSi/c1-17(2)22(18(3)4,19(5)6)15-14-21-16-20-12-10-8-7-9-11-13-20/h17-20H,7-16H2,1-6H3
InChIKeyIFUYYKVTRWCWRT-UHFFFAOYSA-N
XLogP7.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.64
LogP ≤ 57.04
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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane (CID 70179025) is 2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane is CC(C)[Si](CCOCC1CCCCCCC1)(C(C)C)C(C)C.
What is the InChIKey of 2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane?
The InChIKey is IFUYYKVTRWCWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42OSi/c1-17(2)22(18(3)4,19(5)6)15-14-21-16-20-12-10-8-7-9-11-13-20/h17-20H,7-16H2,1-6H3.
What are the key properties of 2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane?
2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane has a molecular weight of 326.64 g/mol, XLogP of 7.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane is sourced from PubChem (CID 70179025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).