2-chloro-10-methoxy-3,10-dioxodecanoic acid

C11H17ClO5 — CID 21406410

IUPAC2-chloro-10-methoxy-3,10-dioxodecanoic acid
SMILESCOC(=O)CCCCCCC(=O)C(Cl)C(=O)O
InChIInChI=1S/C11H17ClO5/c1-17-9(14)7-5-3-2-4-6-8(13)10(12)11(15)16/h10H,2-7H2,1H3,(H,15,16)
InChIKeySLLQDRYXLVRLQF-UHFFFAOYSA-N
MW264.70 g/mol
LogP1.76
Rot. Bonds9

About 2-chloro-10-methoxy-3,10-dioxodecanoic acid

2-chloro-10-methoxy-3,10-dioxodecanoic acid (PubChem CID 21406410) has the molecular formula C11H17ClO5 and a molecular weight of 264.70 g/mol. Its IUPAC name is 2-chloro-10-methoxy-3,10-dioxodecanoic acid.

Molecular Properties

Compound Name2-chloro-10-methoxy-3,10-dioxodecanoic acid
PubChem CID21406410
Molecular FormulaC11H17ClO5
Molecular Weight264.70 g/mol
Exact Mass264.08
IUPAC Name2-chloro-10-methoxy-3,10-dioxodecanoic acid
SMILESCOC(=O)CCCCCCC(=O)C(Cl)C(=O)O
InChIInChI=1S/C11H17ClO5/c1-17-9(14)7-5-3-2-4-6-8(13)10(12)11(15)16/h10H,2-7H2,1H3,(H,15,16)
InChIKeySLLQDRYXLVRLQF-UHFFFAOYSA-N
XLogP1.76
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
2-chloro-3-oxoheptanoic acid
CID 23089387
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
(2R)-2-hydroxy-9-methoxy-9-oxononanoic acid
CID 129391242
methyl 7-chloroheptanoate
CID 529989
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
methyl 6-chloroheptanoate
CID 11423919
dimethyl 9-oxooctadecanedioate
CID 544455

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-methoxy-3,10-dioxodecanoic acid?
The IUPAC name of 2-chloro-10-methoxy-3,10-dioxodecanoic acid (CID 21406410) is 2-chloro-10-methoxy-3,10-dioxodecanoic acid.
What is the SMILES notation for 2-chloro-10-methoxy-3,10-dioxodecanoic acid?
The canonical SMILES for 2-chloro-10-methoxy-3,10-dioxodecanoic acid is COC(=O)CCCCCCC(=O)C(Cl)C(=O)O.
What is the InChIKey of 2-chloro-10-methoxy-3,10-dioxodecanoic acid?
The InChIKey is SLLQDRYXLVRLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO5/c1-17-9(14)7-5-3-2-4-6-8(13)10(12)11(15)16/h10H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-chloro-10-methoxy-3,10-dioxodecanoic acid?
2-chloro-10-methoxy-3,10-dioxodecanoic acid has a molecular weight of 264.70 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-methoxy-3,10-dioxodecanoic acid is sourced from PubChem (CID 21406410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).