8-methoxy-8-oxooctanoic acid;hydrochloride

C9H17ClO4 — CID 87214836

IUPAC8-methoxy-8-oxooctanoic acid;hydrochloride
SMILESCOC(=O)CCCCCCC(=O)O.Cl
InChIInChI=1S/C9H16O4.ClH/c1-13-9(12)7-5-3-2-4-6-8(10)11;/h2-7H2,1H3,(H,10,11);1H
InChIKeyHZLLHGVQEZDRGO-UHFFFAOYSA-N
MW224.68 g/mol
LogP2.01
Rot. Bonds7

About 8-methoxy-8-oxooctanoic acid;hydrochloride

8-methoxy-8-oxooctanoic acid;hydrochloride (PubChem CID 87214836) has the molecular formula C9H17ClO4 and a molecular weight of 224.68 g/mol. Its IUPAC name is 8-methoxy-8-oxooctanoic acid;hydrochloride.

Molecular Properties

Compound Name8-methoxy-8-oxooctanoic acid;hydrochloride
PubChem CID87214836
Molecular FormulaC9H17ClO4
Molecular Weight224.68 g/mol
Exact Mass224.08
IUPAC Name8-methoxy-8-oxooctanoic acid;hydrochloride
SMILESCOC(=O)CCCCCCC(=O)O.Cl
InChIInChI=1S/C9H16O4.ClH/c1-13-9(12)7-5-3-2-4-6-8(10)11;/h2-7H2,1H3,(H,10,11);1H
InChIKeyHZLLHGVQEZDRGO-UHFFFAOYSA-N
XLogP2.01
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.68
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
13-methoxy-13-oxotridecanoic acid;N-methylmethanamine
CID 88504944
dodecanoic acid;methyl hexadecanoate
CID 172688235
decanoic acid;methyl hexanoate
CID 160741081
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
(Z)-16-methoxy-16-oxohexadec-7-enoic acid
CID 156891963
dimethyl hexanedioate;molecular hydrogen
CID 173272620
4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
CID 139888388
dimethyl butanedioate;hexanoic acid
CID 174884800
dimethyl hexanedioate;λ2-stannane
CID 173290075

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-8-oxooctanoic acid;hydrochloride?
The IUPAC name of 8-methoxy-8-oxooctanoic acid;hydrochloride (CID 87214836) is 8-methoxy-8-oxooctanoic acid;hydrochloride.
What is the SMILES notation for 8-methoxy-8-oxooctanoic acid;hydrochloride?
The canonical SMILES for 8-methoxy-8-oxooctanoic acid;hydrochloride is COC(=O)CCCCCCC(=O)O.Cl.
What is the InChIKey of 8-methoxy-8-oxooctanoic acid;hydrochloride?
The InChIKey is HZLLHGVQEZDRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.ClH/c1-13-9(12)7-5-3-2-4-6-8(10)11;/h2-7H2,1H3,(H,10,11);1H.
What are the key properties of 8-methoxy-8-oxooctanoic acid;hydrochloride?
8-methoxy-8-oxooctanoic acid;hydrochloride has a molecular weight of 224.68 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-8-oxooctanoic acid;hydrochloride is sourced from PubChem (CID 87214836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).