[2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane

C13H28OSi — CID 123785873

IUPAC[2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane
SMILESCC(C)C(C)C(C)(C)C1([SiH3])CCCCO1
InChIInChI=1S/C13H28OSi/c1-10(2)11(3)12(4,5)13(15)8-6-7-9-14-13/h10-11H,6-9H2,1-5,15H3
InChIKeyBMVKMMDDQIUJNU-UHFFFAOYSA-N
MW228.45 g/mol
LogP2.57
Rot. Bonds3

About [2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane

[2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane (PubChem CID 123785873) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is [2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane.

Molecular Properties

Compound Name[2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane
PubChem CID123785873
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name[2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane
SMILESCC(C)C(C)C(C)(C)C1([SiH3])CCCCO1
InChIInChI=1S/C13H28OSi/c1-10(2)11(3)12(4,5)13(15)8-6-7-9-14-13/h10-11H,6-9H2,1-5,15H3
InChIKeyBMVKMMDDQIUJNU-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[3,3,5-Tris(3-fluoropropyl)-2-methyloxan-2-yl]silane
CID 174146741
[2-(3-Fluoro-2-methylpropyl)oxan-2-yl]silane
CID 174783130
2-Propyl-4,5,5-trimethyltetrahydropyran
CID 129856987
2-Tert-butyl-3,4,5,6-tetramethyloxane
CID 20707638
2-Tert-butyl-3,4,4,5,6-pentamethyloxane
CID 22960812
4-Tert-butyl-3-(2,2-dimethylpropyl)oxane
CID 23537836
2-Ethyl-3,3,4,4,5,5,6-heptamethyloxane
CID 53769677
3-(2,3,3-Trimethylbutyl)oxane
CID 57321621
(2S,3R,6R)-2,3,4,4-tetramethyl-6-propan-2-yloxane
CID 57696379
(2S,5S,6S)-2-tert-butyl-3,4,5,6-tetramethyloxane
CID 57824598
(2R,4S,5R)-2-tert-butyl-3,4,5-trimethyloxane
CID 58537514
(3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4,5-trimethyloxane
CID 58621898

Frequently Asked Questions

What is the IUPAC name of [2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane?
The IUPAC name of [2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane (CID 123785873) is [2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane.
What is the SMILES notation for [2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane?
The canonical SMILES for [2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane is CC(C)C(C)C(C)(C)C1([SiH3])CCCCO1.
What is the InChIKey of [2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane?
The InChIKey is BMVKMMDDQIUJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-10(2)11(3)12(4,5)13(15)8-6-7-9-14-13/h10-11H,6-9H2,1-5,15H3.
What are the key properties of [2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane?
[2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane has a molecular weight of 228.45 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4-trimethylpentan-2-yl)oxan-2-yl]silane is sourced from PubChem (CID 123785873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).