(2-octadecyloxan-2-yl)silane

C23H48OSi — CID 123418612

IUPAC(2-octadecyloxan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCCC1([SiH3])CCCCO1
InChIInChI=1S/C23H48OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)21-18-19-22-24-23/h2-22H2,1,25H3
InChIKeyZLSNJWRGWAXLPR-UHFFFAOYSA-N
MW368.72 g/mol
LogP6.90
Rot. Bonds17

About (2-octadecyloxan-2-yl)silane

(2-octadecyloxan-2-yl)silane (PubChem CID 123418612) has the molecular formula C23H48OSi and a molecular weight of 368.72 g/mol. Its IUPAC name is (2-octadecyloxan-2-yl)silane.

Molecular Properties

Compound Name(2-octadecyloxan-2-yl)silane
PubChem CID123418612
Molecular FormulaC23H48OSi
Molecular Weight368.72 g/mol
Exact Mass368.35
IUPAC Name(2-octadecyloxan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCCC1([SiH3])CCCCO1
InChIInChI=1S/C23H48OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)21-18-19-22-24-23/h2-22H2,1,25H3
InChIKeyZLSNJWRGWAXLPR-UHFFFAOYSA-N
XLogP6.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.72
LogP ≤ 56.90
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-octadecyloxan-2-yl)silane?
The IUPAC name of (2-octadecyloxan-2-yl)silane (CID 123418612) is (2-octadecyloxan-2-yl)silane.
What is the SMILES notation for (2-octadecyloxan-2-yl)silane?
The canonical SMILES for (2-octadecyloxan-2-yl)silane is CCCCCCCCCCCCCCCCCCC1([SiH3])CCCCO1.
What is the InChIKey of (2-octadecyloxan-2-yl)silane?
The InChIKey is ZLSNJWRGWAXLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)21-18-19-22-24-23/h2-22H2,1,25H3.
What are the key properties of (2-octadecyloxan-2-yl)silane?
(2-octadecyloxan-2-yl)silane has a molecular weight of 368.72 g/mol, XLogP of 6.90, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-octadecyloxan-2-yl)silane is sourced from PubChem (CID 123418612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).