triethoxy(31-iodohentriacontyl)silane

C37H77IO3Si — CID 87683557

IUPACtriethoxy(31-iodohentriacontyl)silane
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCI)(OCC)OCC
InChIInChI=1S/C37H77IO3Si/c1-4-39-42(40-5-2,41-6-3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38/h4-37H2,1-3H3
InChIKeyALRHBNNMFYIDSX-UHFFFAOYSA-N
MW725.01 g/mol
LogP13.78
Rot. Bonds37

About triethoxy(31-iodohentriacontyl)silane

triethoxy(31-iodohentriacontyl)silane (PubChem CID 87683557) has the molecular formula C37H77IO3Si and a molecular weight of 725.01 g/mol. Its IUPAC name is triethoxy(31-iodohentriacontyl)silane.

Molecular Properties

Compound Nametriethoxy(31-iodohentriacontyl)silane
PubChem CID87683557
Molecular FormulaC37H77IO3Si
Molecular Weight725.01 g/mol
Exact Mass724.47
IUPAC Nametriethoxy(31-iodohentriacontyl)silane
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCI)(OCC)OCC
InChIInChI=1S/C37H77IO3Si/c1-4-39-42(40-5-2,41-6-3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38/h4-37H2,1-3H3
InChIKeyALRHBNNMFYIDSX-UHFFFAOYSA-N
XLogP13.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds37
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.01
LogP ≤ 513.78
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

triethoxy(14-iodotetradecyl)silane
CID 87686143
triethoxy(17-iodoheptadecyl)silane
CID 87686040
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
silane;triethoxy(tetradecyl)silane
CID 161365398
25-iodopentacosyl(trimethoxy)silane
CID 87682429
10-iododecyl(trimethoxy)silane
CID 87686313
32-iododotriacontyl(trimethoxy)silane
CID 87681424

Frequently Asked Questions

What is the IUPAC name of triethoxy(31-iodohentriacontyl)silane?
The IUPAC name of triethoxy(31-iodohentriacontyl)silane (CID 87683557) is triethoxy(31-iodohentriacontyl)silane.
What is the SMILES notation for triethoxy(31-iodohentriacontyl)silane?
The canonical SMILES for triethoxy(31-iodohentriacontyl)silane is CCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCI)(OCC)OCC.
What is the InChIKey of triethoxy(31-iodohentriacontyl)silane?
The InChIKey is ALRHBNNMFYIDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H77IO3Si/c1-4-39-42(40-5-2,41-6-3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38/h4-37H2,1-3H3.
What are the key properties of triethoxy(31-iodohentriacontyl)silane?
triethoxy(31-iodohentriacontyl)silane has a molecular weight of 725.01 g/mol, XLogP of 13.78, 37 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(31-iodohentriacontyl)silane is sourced from PubChem (CID 87683557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).