heptan-4-yloxy-hydroxy-oxosilane

C7H16O3Si — CID 87451999

IUPACheptan-4-yloxy-hydroxy-oxosilane
SMILESCCCC(CCC)O[Si](=O)O
InChIInChI=1S/C7H16O3Si/c1-3-5-7(6-4-2)10-11(8)9/h7-8H,3-6H2,1-2H3
InChIKeyNFHNQAHQLJOHAE-UHFFFAOYSA-N
MW176.29 g/mol
LogP1.38
Rot. Bonds6

About heptan-4-yloxy-hydroxy-oxosilane

heptan-4-yloxy-hydroxy-oxosilane (PubChem CID 87451999) has the molecular formula C7H16O3Si and a molecular weight of 176.29 g/mol. Its IUPAC name is heptan-4-yloxy-hydroxy-oxosilane.

Molecular Properties

Compound Nameheptan-4-yloxy-hydroxy-oxosilane
PubChem CID87451999
Molecular FormulaC7H16O3Si
Molecular Weight176.29 g/mol
Exact Mass176.09
IUPAC Nameheptan-4-yloxy-hydroxy-oxosilane
SMILESCCCC(CCC)O[Si](=O)O
InChIInChI=1S/C7H16O3Si/c1-3-5-7(6-4-2)10-11(8)9/h7-8H,3-6H2,1-2H3
InChIKeyNFHNQAHQLJOHAE-UHFFFAOYSA-N
XLogP1.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hydroxy-oxosilane?
The IUPAC name of heptan-4-yloxy-hydroxy-oxosilane (CID 87451999) is heptan-4-yloxy-hydroxy-oxosilane.
What is the SMILES notation for heptan-4-yloxy-hydroxy-oxosilane?
The canonical SMILES for heptan-4-yloxy-hydroxy-oxosilane is CCCC(CCC)O[Si](=O)O.
What is the InChIKey of heptan-4-yloxy-hydroxy-oxosilane?
The InChIKey is NFHNQAHQLJOHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3Si/c1-3-5-7(6-4-2)10-11(8)9/h7-8H,3-6H2,1-2H3.
What are the key properties of heptan-4-yloxy-hydroxy-oxosilane?
heptan-4-yloxy-hydroxy-oxosilane has a molecular weight of 176.29 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-4-yloxy-hydroxy-oxosilane is sourced from PubChem (CID 87451999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).