heptan-4-yloxy-methoxy-propan-2-yloxysilane

C11H26O3Si — CID 172755078

IUPACheptan-4-yloxy-methoxy-propan-2-yloxysilane
SMILESCCCC(CCC)O[SiH](OC)OC(C)C
InChIInChI=1S/C11H26O3Si/c1-6-8-11(9-7-2)14-15(12-5)13-10(3)4/h10-11,15H,6-9H2,1-5H3
InChIKeyKXFXPLTWZDRZJU-UHFFFAOYSA-N
MW234.41 g/mol
LogP2.76
Rot. Bonds9

About heptan-4-yloxy-methoxy-propan-2-yloxysilane

heptan-4-yloxy-methoxy-propan-2-yloxysilane (PubChem CID 172755078) has the molecular formula C11H26O3Si and a molecular weight of 234.41 g/mol. Its IUPAC name is heptan-4-yloxy-methoxy-propan-2-yloxysilane.

Molecular Properties

Compound Nameheptan-4-yloxy-methoxy-propan-2-yloxysilane
PubChem CID172755078
Molecular FormulaC11H26O3Si
Molecular Weight234.41 g/mol
Exact Mass234.17
IUPAC Nameheptan-4-yloxy-methoxy-propan-2-yloxysilane
SMILESCCCC(CCC)O[SiH](OC)OC(C)C
InChIInChI=1S/C11H26O3Si/c1-6-8-11(9-7-2)14-15(12-5)13-10(3)4/h10-11,15H,6-9H2,1-5H3
InChIKeyKXFXPLTWZDRZJU-UHFFFAOYSA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 heptan-4-yloxy-methoxy-propan-2-yloxysilane?
The IUPAC name of heptan-4-yloxy-methoxy-propan-2-yloxysilane (CID 172755078) is heptan-4-yloxy-methoxy-propan-2-yloxysilane.
What is the SMILES notation for heptan-4-yloxy-methoxy-propan-2-yloxysilane?
The canonical SMILES for heptan-4-yloxy-methoxy-propan-2-yloxysilane is CCCC(CCC)O[SiH](OC)OC(C)C.
What is the InChIKey of heptan-4-yloxy-methoxy-propan-2-yloxysilane?
The InChIKey is KXFXPLTWZDRZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3Si/c1-6-8-11(9-7-2)14-15(12-5)13-10(3)4/h10-11,15H,6-9H2,1-5H3.
What are the key properties of heptan-4-yloxy-methoxy-propan-2-yloxysilane?
heptan-4-yloxy-methoxy-propan-2-yloxysilane has a molecular weight of 234.41 g/mol, XLogP of 2.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-4-yloxy-methoxy-propan-2-yloxysilane is sourced from PubChem (CID 172755078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).