(4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane

C13H30OSi — CID 123410687

IUPAC(4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane
SMILESCCC(C)C(CC(C)C)(O[SiH3])C(C)CC
InChIInChI=1S/C13H30OSi/c1-7-11(5)13(14-15,9-10(3)4)12(6)8-2/h10-12H,7-9H2,1-6,15H3
InChIKeyBHOHNACMEREYFS-UHFFFAOYSA-N
MW230.47 g/mol
LogP3.16
Rot. Bonds7

About (4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane

(4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane (PubChem CID 123410687) has the molecular formula C13H30OSi and a molecular weight of 230.47 g/mol. Its IUPAC name is (4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane.

Molecular Properties

Compound Name(4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane
PubChem CID123410687
Molecular FormulaC13H30OSi
Molecular Weight230.47 g/mol
Exact Mass230.21
IUPAC Name(4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane
SMILESCCC(C)C(CC(C)C)(O[SiH3])C(C)CC
InChIInChI=1S/C13H30OSi/c1-7-11(5)13(14-15,9-10(3)4)12(6)8-2/h10-12H,7-9H2,1-6,15H3
InChIKeyBHOHNACMEREYFS-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.47
LogP ≤ 53.16
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 (4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane?
The IUPAC name of (4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane (CID 123410687) is (4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane.
What is the SMILES notation for (4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane?
The canonical SMILES for (4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane is CCC(C)C(CC(C)C)(O[SiH3])C(C)CC.
What is the InChIKey of (4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane?
The InChIKey is BHOHNACMEREYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30OSi/c1-7-11(5)13(14-15,9-10(3)4)12(6)8-2/h10-12H,7-9H2,1-6,15H3.
What are the key properties of (4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane?
(4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane has a molecular weight of 230.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-yl-2,5-dimethylheptan-4-yl)oxysilane is sourced from PubChem (CID 123410687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).