3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane

C13H30OSi — CID 123520378

IUPAC3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane
SMILESCCC(C)C(O[SiH2]CC(C)C)C(C)CC
InChIInChI=1S/C13H30OSi/c1-7-11(5)13(12(6)8-2)14-15-9-10(3)4/h10-13H,7-9,15H2,1-6H3
InChIKeyXQIVZVIUFATXTC-UHFFFAOYSA-N
MW230.47 g/mol
LogP3.62
Rot. Bonds8

About 3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane

3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane (PubChem CID 123520378) has the molecular formula C13H30OSi and a molecular weight of 230.47 g/mol. Its IUPAC name is 3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane.

Molecular Properties

Compound Name3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane
PubChem CID123520378
Molecular FormulaC13H30OSi
Molecular Weight230.47 g/mol
Exact Mass230.21
IUPAC Name3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane
SMILESCCC(C)C(O[SiH2]CC(C)C)C(C)CC
InChIInChI=1S/C13H30OSi/c1-7-11(5)13(12(6)8-2)14-15-9-10(3)4/h10-13H,7-9,15H2,1-6H3
InChIKeyXQIVZVIUFATXTC-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane?
The IUPAC name of 3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane (CID 123520378) is 3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane.
What is the SMILES notation for 3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane?
The canonical SMILES for 3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane is CCC(C)C(O[SiH2]CC(C)C)C(C)CC.
What is the InChIKey of 3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane?
The InChIKey is XQIVZVIUFATXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30OSi/c1-7-11(5)13(12(6)8-2)14-15-9-10(3)4/h10-13H,7-9,15H2,1-6H3.
What are the key properties of 3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane?
3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane has a molecular weight of 230.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylheptan-4-yloxy(2-methylpropyl)silane is sourced from PubChem (CID 123520378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).