25-iodopentacosyl(trimethoxy)silane

C28H59IO3Si — CID 87682429

IUPAC25-iodopentacosyl(trimethoxy)silane
SMILESCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCI)(OC)OC
InChIInChI=1S/C28H59IO3Si/c1-30-33(31-2,32-3)28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29/h4-28H2,1-3H3
InChIKeyKTKKYPLVOGFIFH-UHFFFAOYSA-N
MW598.77 g/mol
LogP10.27
Rot. Bonds28

About 25-iodopentacosyl(trimethoxy)silane

25-iodopentacosyl(trimethoxy)silane (PubChem CID 87682429) has the molecular formula C28H59IO3Si and a molecular weight of 598.77 g/mol. Its IUPAC name is 25-iodopentacosyl(trimethoxy)silane.

Molecular Properties

Compound Name25-iodopentacosyl(trimethoxy)silane
PubChem CID87682429
Molecular FormulaC28H59IO3Si
Molecular Weight598.77 g/mol
Exact Mass598.33
IUPAC Name25-iodopentacosyl(trimethoxy)silane
SMILESCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCI)(OC)OC
InChIInChI=1S/C28H59IO3Si/c1-30-33(31-2,32-3)28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29/h4-28H2,1-3H3
InChIKeyKTKKYPLVOGFIFH-UHFFFAOYSA-N
XLogP10.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.77
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

10-iododecyl(trimethoxy)silane
CID 87686313
32-iododotriacontyl(trimethoxy)silane
CID 87681424
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
triethoxy(14-iodotetradecyl)silane
CID 87686143
triethoxy(31-iodohentriacontyl)silane
CID 87683557
triethoxy(17-iodoheptadecyl)silane
CID 87686040
trimethoxy(pentacontyl)silane
CID 87930715
dodecyl(trimethoxy)silane;octane
CID 174570785
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
33-trimethoxysilyltritriacontan-1-amine
CID 87686996

Frequently Asked Questions

What is the IUPAC name of 25-iodopentacosyl(trimethoxy)silane?
The IUPAC name of 25-iodopentacosyl(trimethoxy)silane (CID 87682429) is 25-iodopentacosyl(trimethoxy)silane.
What is the SMILES notation for 25-iodopentacosyl(trimethoxy)silane?
The canonical SMILES for 25-iodopentacosyl(trimethoxy)silane is CO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCI)(OC)OC.
What is the InChIKey of 25-iodopentacosyl(trimethoxy)silane?
The InChIKey is KTKKYPLVOGFIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59IO3Si/c1-30-33(31-2,32-3)28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29/h4-28H2,1-3H3.
What are the key properties of 25-iodopentacosyl(trimethoxy)silane?
25-iodopentacosyl(trimethoxy)silane has a molecular weight of 598.77 g/mol, XLogP of 10.27, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 25-iodopentacosyl(trimethoxy)silane is sourced from PubChem (CID 87682429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).