methyl 10-chloro-11-hydroxyiminoundecanoate

C12H22ClNO3 — CID 71410948

IUPACmethyl 10-chloro-11-hydroxyiminoundecanoate
SMILESCOC(=O)CCCCCCCCC(Cl)C=NO
InChIInChI=1S/C12H22ClNO3/c1-17-12(15)9-7-5-3-2-4-6-8-11(13)10-14-16/h10-11,16H,2-9H2,1H3
InChIKeyGDKRLXLUJTVHOT-UHFFFAOYSA-N
MW263.76 g/mol
LogP3.35
Rot. Bonds10

About methyl 10-chloro-11-hydroxyiminoundecanoate

methyl 10-chloro-11-hydroxyiminoundecanoate (PubChem CID 71410948) has the molecular formula C12H22ClNO3 and a molecular weight of 263.76 g/mol. Its IUPAC name is methyl 10-chloro-11-hydroxyiminoundecanoate.

Molecular Properties

Compound Namemethyl 10-chloro-11-hydroxyiminoundecanoate
PubChem CID71410948
Molecular FormulaC12H22ClNO3
Molecular Weight263.76 g/mol
Exact Mass263.13
IUPAC Namemethyl 10-chloro-11-hydroxyiminoundecanoate
SMILESCOC(=O)CCCCCCCCC(Cl)C=NO
InChIInChI=1S/C12H22ClNO3/c1-17-12(15)9-7-5-3-2-4-6-8-11(13)10-14-16/h10-11,16H,2-9H2,1H3
InChIKeyGDKRLXLUJTVHOT-UHFFFAOYSA-N
XLogP3.35
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.76
LogP ≤ 53.35
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 10-chloro-11-oxoundecanoate
CID 71410947
methyl 6-chloroheptanoate
CID 11423919
methyl 9-chloroundecanoate
CID 12772138
dimethyl 6,7,9,10-tetrachlorooctadecanedioate
CID 91752995
dimethyl tricosanedioate
CID 12632762
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
methyl 7,8-dichlorohexadecanoate
CID 14550263
methyl 11-chlorohexadecanoate
CID 13234969
methyl 11-chloropentadecanoate
CID 86008210
methyl 12-chloroicosanoate
CID 100938376
methyl 13-chlorooctadecanoate
CID 13234952

Frequently Asked Questions

What is the IUPAC name of methyl 10-chloro-11-hydroxyiminoundecanoate?
The IUPAC name of methyl 10-chloro-11-hydroxyiminoundecanoate (CID 71410948) is methyl 10-chloro-11-hydroxyiminoundecanoate.
What is the SMILES notation for methyl 10-chloro-11-hydroxyiminoundecanoate?
The canonical SMILES for methyl 10-chloro-11-hydroxyiminoundecanoate is COC(=O)CCCCCCCCC(Cl)C=NO.
What is the InChIKey of methyl 10-chloro-11-hydroxyiminoundecanoate?
The InChIKey is GDKRLXLUJTVHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO3/c1-17-12(15)9-7-5-3-2-4-6-8-11(13)10-14-16/h10-11,16H,2-9H2,1H3.
What are the key properties of methyl 10-chloro-11-hydroxyiminoundecanoate?
methyl 10-chloro-11-hydroxyiminoundecanoate has a molecular weight of 263.76 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-chloro-11-hydroxyiminoundecanoate is sourced from PubChem (CID 71410948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).