8-silyloctanoic acid

C8H18O2Si — CID 173427081

IUPAC8-silyloctanoic acid
SMILESO=C(O)CCCCCCC[SiH3]
InChIInChI=1S/C8H18O2Si/c9-8(10)6-4-2-1-3-5-7-11/h1-7H2,11H3,(H,9,10)
InChIKeyYVIZCDQASWVIID-UHFFFAOYSA-N
MW174.32 g/mol
LogP1.20
Rot. Bonds7

About 8-silyloctanoic acid

8-silyloctanoic acid (PubChem CID 173427081) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is 8-silyloctanoic acid.

Molecular Properties

Compound Name8-silyloctanoic acid
PubChem CID173427081
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Name8-silyloctanoic acid
SMILESO=C(O)CCCCCCC[SiH3]
InChIInChI=1S/C8H18O2Si/c9-8(10)6-4-2-1-3-5-7-11/h1-7H2,11H3,(H,9,10)
InChIKeyYVIZCDQASWVIID-UHFFFAOYSA-N
XLogP1.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
octanedioic acid;zinc
CID 87285694
heptanedioic acid;dihydrochloride
CID 87431923

Frequently Asked Questions

What is the IUPAC name of 8-silyloctanoic acid?
The IUPAC name of 8-silyloctanoic acid (CID 173427081) is 8-silyloctanoic acid.
What is the SMILES notation for 8-silyloctanoic acid?
The canonical SMILES for 8-silyloctanoic acid is O=C(O)CCCCCCC[SiH3].
What is the InChIKey of 8-silyloctanoic acid?
The InChIKey is YVIZCDQASWVIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c9-8(10)6-4-2-1-3-5-7-11/h1-7H2,11H3,(H,9,10).
What are the key properties of 8-silyloctanoic acid?
8-silyloctanoic acid has a molecular weight of 174.32 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-silyloctanoic acid is sourced from PubChem (CID 173427081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).