2-icosan-2-yloxyoxasilinane

C24H50O2Si — CID 173083357

IUPAC2-icosan-2-yloxyoxasilinane
SMILESCCCCCCCCCCCCCCCCCCC(C)O[SiH]1CCCCO1
InChIInChI=1S/C24H50O2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2)26-27-23-20-19-22-25-27/h24,27H,3-23H2,1-2H3
InChIKeyQKJUHWLUTNPAFC-UHFFFAOYSA-N
MW398.75 g/mol
LogP8.07
Rot. Bonds19

About 2-icosan-2-yloxyoxasilinane

2-icosan-2-yloxyoxasilinane (PubChem CID 173083357) has the molecular formula C24H50O2Si and a molecular weight of 398.75 g/mol. Its IUPAC name is 2-icosan-2-yloxyoxasilinane.

Molecular Properties

Compound Name2-icosan-2-yloxyoxasilinane
PubChem CID173083357
Molecular FormulaC24H50O2Si
Molecular Weight398.75 g/mol
Exact Mass398.36
IUPAC Name2-icosan-2-yloxyoxasilinane
SMILESCCCCCCCCCCCCCCCCCCC(C)O[SiH]1CCCCO1
InChIInChI=1S/C24H50O2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2)26-27-23-20-19-22-25-27/h24,27H,3-23H2,1-2H3
InChIKeyQKJUHWLUTNPAFC-UHFFFAOYSA-N
XLogP8.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.75
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-octan-2-yloxyoxasilinane
CID 175422829
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
nonadecan-2-yloxy(oxan-2-yl)silane
CID 123257578
dimethyl-(2-nonadecan-2-yloxyoxan-2-yl)silane
CID 173200522
1-hexan-2-yloxydecane
CID 57029724
2-propan-2-yloxasilinane;tetradecanoic acid
CID 173217204
1,2-di(heptan-2-yloxy)cyclohexane
CID 91603551
tetradecan-2-yloxysilane
CID 173015270
O-hexadecan-2-ylhydroxylamine
CID 18799052

Frequently Asked Questions

What is the IUPAC name of 2-icosan-2-yloxyoxasilinane?
The IUPAC name of 2-icosan-2-yloxyoxasilinane (CID 173083357) is 2-icosan-2-yloxyoxasilinane.
What is the SMILES notation for 2-icosan-2-yloxyoxasilinane?
The canonical SMILES for 2-icosan-2-yloxyoxasilinane is CCCCCCCCCCCCCCCCCCC(C)O[SiH]1CCCCO1.
What is the InChIKey of 2-icosan-2-yloxyoxasilinane?
The InChIKey is QKJUHWLUTNPAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2)26-27-23-20-19-22-25-27/h24,27H,3-23H2,1-2H3.
What are the key properties of 2-icosan-2-yloxyoxasilinane?
2-icosan-2-yloxyoxasilinane has a molecular weight of 398.75 g/mol, XLogP of 8.07, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-icosan-2-yloxyoxasilinane is sourced from PubChem (CID 173083357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).