10-iodooctadecan-9-yloxy(trimethyl)silane

C21H45IOSi — CID 12652949

IUPAC10-iodooctadecan-9-yloxy(trimethyl)silane
SMILESCCCCCCCCC(I)C(CCCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C21H45IOSi/c1-6-8-10-12-14-16-18-20(22)21(23-24(3,4)5)19-17-15-13-11-9-7-2/h20-21H,6-19H2,1-5H3
InChIKeyLRNYOINBGXYHMH-UHFFFAOYSA-N
MW468.58 g/mol
LogP8.51
Rot. Bonds17

About 10-iodooctadecan-9-yloxy(trimethyl)silane

10-iodooctadecan-9-yloxy(trimethyl)silane (PubChem CID 12652949) has the molecular formula C21H45IOSi and a molecular weight of 468.58 g/mol. Its IUPAC name is 10-iodooctadecan-9-yloxy(trimethyl)silane.

Molecular Properties

Compound Name10-iodooctadecan-9-yloxy(trimethyl)silane
PubChem CID12652949
Molecular FormulaC21H45IOSi
Molecular Weight468.58 g/mol
Exact Mass468.23
IUPAC Name10-iodooctadecan-9-yloxy(trimethyl)silane
SMILESCCCCCCCCC(I)C(CCCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C21H45IOSi/c1-6-8-10-12-14-16-18-20(22)21(23-24(3,4)5)19-17-15-13-11-9-7-2/h20-21H,6-19H2,1-5H3
InChIKeyLRNYOINBGXYHMH-UHFFFAOYSA-N
XLogP8.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Stearoxytrimethylsilane
CID 87778
(Hexadecyloxy)trimethylsilane
CID 22588
Silane, trimethyl[(1-methylheptyl)oxy]-
CID 519505
1-Docosanol, TMS
CID 529830
(Eicosyloxy)trimethylsilane
CID 6431467
Silane, dimethyldi(2-octyloxy)-
CID 85708223
1-Trimethylsilyloxytetradecane
CID 522031
1-Iodo-2-trimethylsiloxycyclododecane
CID 12624042
(Heptacosyloxy)trimethylsilane
CID 529831
(Hexacosyloxy)trimethylsilane
CID 529833
1-Tetracosanol, TMS
CID 529837
(Tricosyloxy)trimethylsilane
CID 529839

Frequently Asked Questions

What is the IUPAC name of 10-iodooctadecan-9-yloxy(trimethyl)silane?
The IUPAC name of 10-iodooctadecan-9-yloxy(trimethyl)silane (CID 12652949) is 10-iodooctadecan-9-yloxy(trimethyl)silane.
What is the SMILES notation for 10-iodooctadecan-9-yloxy(trimethyl)silane?
The canonical SMILES for 10-iodooctadecan-9-yloxy(trimethyl)silane is CCCCCCCCC(I)C(CCCCCCCC)O[Si](C)(C)C.
What is the InChIKey of 10-iodooctadecan-9-yloxy(trimethyl)silane?
The InChIKey is LRNYOINBGXYHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45IOSi/c1-6-8-10-12-14-16-18-20(22)21(23-24(3,4)5)19-17-15-13-11-9-7-2/h20-21H,6-19H2,1-5H3.
What are the key properties of 10-iodooctadecan-9-yloxy(trimethyl)silane?
10-iodooctadecan-9-yloxy(trimethyl)silane has a molecular weight of 468.58 g/mol, XLogP of 8.51, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iodooctadecan-9-yloxy(trimethyl)silane is sourced from PubChem (CID 12652949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).