methyl-(2-octyloxan-2-yl)silane

C14H30OSi — CID 123518274

IUPACmethyl-(2-octyloxan-2-yl)silane
SMILESCCCCCCCCC1([SiH2]C)CCCCO1
InChIInChI=1S/C14H30OSi/c1-3-4-5-6-7-8-11-14(16-2)12-9-10-13-15-14/h3-13,16H2,1-2H3
InChIKeyCXIIQUMLBWVWHN-UHFFFAOYSA-N
MW242.48 g/mol
LogP3.85
Rot. Bonds8

About methyl-(2-octyloxan-2-yl)silane

methyl-(2-octyloxan-2-yl)silane (PubChem CID 123518274) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is methyl-(2-octyloxan-2-yl)silane.

Molecular Properties

Compound Namemethyl-(2-octyloxan-2-yl)silane
PubChem CID123518274
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Namemethyl-(2-octyloxan-2-yl)silane
SMILESCCCCCCCCC1([SiH2]C)CCCCO1
InChIInChI=1S/C14H30OSi/c1-3-4-5-6-7-8-11-14(16-2)12-9-10-13-15-14/h3-13,16H2,1-2H3
InChIKeyCXIIQUMLBWVWHN-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-hexyl-2-methyloxane
CID 67835603
(2-hexyloxan-2-yl)silane
CID 123313847
2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane
CID 141006538
butyl-(2-ethyloxan-2-yl)silane
CID 174787335
2-pentyloxan-2-ol
CID 10035063
methyl-[2-(2-methylpropyl)oxan-2-yl]silane
CID 173413244
dimethyl-(2-nonadecyloxan-2-yl)silane
CID 123381565
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-heptyl-2-methyloxolane
CID 66630336
(2-methyloxan-2-yl)-tetradecylsilane
CID 175425313
ethoxy-(2-propyloxan-2-yl)silane
CID 123763130
1-methyl-1-undecylcyclohexane
CID 86137257

Frequently Asked Questions

What is the IUPAC name of methyl-(2-octyloxan-2-yl)silane?
The IUPAC name of methyl-(2-octyloxan-2-yl)silane (CID 123518274) is methyl-(2-octyloxan-2-yl)silane.
What is the SMILES notation for methyl-(2-octyloxan-2-yl)silane?
The canonical SMILES for methyl-(2-octyloxan-2-yl)silane is CCCCCCCCC1([SiH2]C)CCCCO1.
What is the InChIKey of methyl-(2-octyloxan-2-yl)silane?
The InChIKey is CXIIQUMLBWVWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OSi/c1-3-4-5-6-7-8-11-14(16-2)12-9-10-13-15-14/h3-13,16H2,1-2H3.
What are the key properties of methyl-(2-octyloxan-2-yl)silane?
methyl-(2-octyloxan-2-yl)silane has a molecular weight of 242.48 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-octyloxan-2-yl)silane is sourced from PubChem (CID 123518274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).