(2-octan-2-yloxan-2-yl)silane

C13H28OSi — CID 123500764

IUPAC(2-octan-2-yloxan-2-yl)silane
SMILESCCCCCCC(C)C1([SiH3])CCCCO1
InChIInChI=1S/C13H28OSi/c1-3-4-5-6-9-12(2)13(15)10-7-8-11-14-13/h12H,3-11H2,1-2,15H3
InChIKeyNSAPWUVBZJDBDD-UHFFFAOYSA-N
MW228.45 g/mol
LogP2.86
Rot. Bonds6

About (2-octan-2-yloxan-2-yl)silane

(2-octan-2-yloxan-2-yl)silane (PubChem CID 123500764) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is (2-octan-2-yloxan-2-yl)silane.

Molecular Properties

Compound Name(2-octan-2-yloxan-2-yl)silane
PubChem CID123500764
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name(2-octan-2-yloxan-2-yl)silane
SMILESCCCCCCC(C)C1([SiH3])CCCCO1
InChIInChI=1S/C13H28OSi/c1-3-4-5-6-9-12(2)13(15)10-7-8-11-14-13/h12H,3-11H2,1-2,15H3
InChIKeyNSAPWUVBZJDBDD-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 52.86
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

2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
2H-Pyran, 3-heptyltetrahydro-
CID 68443944
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
2-Methyl-3-amyltetrahydropyran
CID 129789661
3-Methyl-6-propyltetrahydropyran
CID 129806384
[3,3,5-Tris(3-fluoropropyl)-2-methyloxan-2-yl]silane
CID 174146741
[2-(3,3,3-Trifluoro-2-methylpropyl)oxan-2-yl]silane
CID 174648766
[2-(3-Fluoro-2-methylpropyl)oxan-2-yl]silane
CID 174783130
2-Ethyl-4,6-dimethyltetrahydropyran
CID 549985
(2S,4R)-4-methyl-2-(2-methylpropyl)oxane
CID 12684604
2-(2-Methylpropyl)oxane
CID 14242125
3-Pentyloxane
CID 20239943

Frequently Asked Questions

What is the IUPAC name of (2-octan-2-yloxan-2-yl)silane?
The IUPAC name of (2-octan-2-yloxan-2-yl)silane (CID 123500764) is (2-octan-2-yloxan-2-yl)silane.
What is the SMILES notation for (2-octan-2-yloxan-2-yl)silane?
The canonical SMILES for (2-octan-2-yloxan-2-yl)silane is CCCCCCC(C)C1([SiH3])CCCCO1.
What is the InChIKey of (2-octan-2-yloxan-2-yl)silane?
The InChIKey is NSAPWUVBZJDBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-3-4-5-6-9-12(2)13(15)10-7-8-11-14-13/h12H,3-11H2,1-2,15H3.
What are the key properties of (2-octan-2-yloxan-2-yl)silane?
(2-octan-2-yloxan-2-yl)silane has a molecular weight of 228.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-octan-2-yloxan-2-yl)silane is sourced from PubChem (CID 123500764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).