heptan-4-yloxy(trihydroxy)silane

C7H18O4Si — CID 87452000

IUPACheptan-4-yloxy(trihydroxy)silane
SMILESCCCC(CCC)O[Si](O)(O)O
InChIInChI=1S/C7H18O4Si/c1-3-5-7(6-4-2)11-12(8,9)10/h7-10H,3-6H2,1-2H3
InChIKeyYZWDRYYYGQPWIH-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.38
Rot. Bonds6

About heptan-4-yloxy(trihydroxy)silane

heptan-4-yloxy(trihydroxy)silane (PubChem CID 87452000) has the molecular formula C7H18O4Si and a molecular weight of 194.30 g/mol. Its IUPAC name is heptan-4-yloxy(trihydroxy)silane.

Molecular Properties

Compound Nameheptan-4-yloxy(trihydroxy)silane
PubChem CID87452000
Molecular FormulaC7H18O4Si
Molecular Weight194.30 g/mol
Exact Mass194.10
IUPAC Nameheptan-4-yloxy(trihydroxy)silane
SMILESCCCC(CCC)O[Si](O)(O)O
InChIInChI=1S/C7H18O4Si/c1-3-5-7(6-4-2)11-12(8,9)10/h7-10H,3-6H2,1-2H3
InChIKeyYZWDRYYYGQPWIH-UHFFFAOYSA-N
XLogP0.38
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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(trihydroxy)silane?
The IUPAC name of heptan-4-yloxy(trihydroxy)silane (CID 87452000) is heptan-4-yloxy(trihydroxy)silane.
What is the SMILES notation for heptan-4-yloxy(trihydroxy)silane?
The canonical SMILES for heptan-4-yloxy(trihydroxy)silane is CCCC(CCC)O[Si](O)(O)O.
What is the InChIKey of heptan-4-yloxy(trihydroxy)silane?
The InChIKey is YZWDRYYYGQPWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O4Si/c1-3-5-7(6-4-2)11-12(8,9)10/h7-10H,3-6H2,1-2H3.
What are the key properties of heptan-4-yloxy(trihydroxy)silane?
heptan-4-yloxy(trihydroxy)silane has a molecular weight of 194.30 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-4-yloxy(trihydroxy)silane is sourced from PubChem (CID 87452000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).