silane;1,1,1-triiodooctadecane

C18H39I3Si — CID 173345600

IUPACsilane;1,1,1-triiodooctadecane
SMILESCCCCCCCCCCCCCCCCCC(I)(I)I.[SiH4]
InChIInChI=1S/C18H35I3.H4Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19,20)21;/h2-17H2,1H3;1H4
InChIKeyUUOBAALJPVAHCE-UHFFFAOYSA-N
MW664.31 g/mol
LogP7.76
Rot. Bonds16

About silane;1,1,1-triiodooctadecane

silane;1,1,1-triiodooctadecane (PubChem CID 173345600) has the molecular formula C18H39I3Si and a molecular weight of 664.31 g/mol. Its IUPAC name is silane;1,1,1-triiodooctadecane.

Molecular Properties

Compound Namesilane;1,1,1-triiodooctadecane
PubChem CID173345600
Molecular FormulaC18H39I3Si
Molecular Weight664.31 g/mol
Exact Mass664.00
IUPAC Namesilane;1,1,1-triiodooctadecane
SMILESCCCCCCCCCCCCCCCCCC(I)(I)I.[SiH4]
InChIInChI=1S/C18H35I3.H4Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19,20)21;/h2-17H2,1H3;1H4
InChIKeyUUOBAALJPVAHCE-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.31
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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2-iodo-2-methylnonane
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1,1-diiododecan-1-ol
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9-phosphanylheptacosan-9-ylphosphane
CID 174586813
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
2,3,3-triiodonon-1-ene-1,1-diol
CID 118275822
7-methylhexadecan-7-ylsilane
CID 173411878
heptane;silane;trihydrochloride
CID 173470147
bis(octane);silane;dihydrochloride
CID 173470119

Frequently Asked Questions

What is the IUPAC name of silane;1,1,1-triiodooctadecane?
The IUPAC name of silane;1,1,1-triiodooctadecane (CID 173345600) is silane;1,1,1-triiodooctadecane.
What is the SMILES notation for silane;1,1,1-triiodooctadecane?
The canonical SMILES for silane;1,1,1-triiodooctadecane is CCCCCCCCCCCCCCCCCC(I)(I)I.[SiH4].
What is the InChIKey of silane;1,1,1-triiodooctadecane?
The InChIKey is UUOBAALJPVAHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35I3.H4Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19,20)21;/h2-17H2,1H3;1H4.
What are the key properties of silane;1,1,1-triiodooctadecane?
silane;1,1,1-triiodooctadecane has a molecular weight of 664.31 g/mol, XLogP of 7.76, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for silane;1,1,1-triiodooctadecane is sourced from PubChem (CID 173345600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).