methyl nonanoate;hydrochloride

C10H21ClO2 — CID 141151355

IUPACmethyl nonanoate;hydrochloride
SMILESCCCCCCCCC(=O)OC.Cl
InChIInChI=1S/C10H20O2.ClH/c1-3-4-5-6-7-8-9-10(11)12-2;/h3-9H2,1-2H3;1H
InChIKeyXLEZKHGBZUFIAF-UHFFFAOYSA-N
MW208.73 g/mol
LogP3.33
Rot. Bonds7

About methyl nonanoate;hydrochloride

methyl nonanoate;hydrochloride (PubChem CID 141151355) has the molecular formula C10H21ClO2 and a molecular weight of 208.73 g/mol. Its IUPAC name is methyl nonanoate;hydrochloride.

Molecular Properties

Compound Namemethyl nonanoate;hydrochloride
PubChem CID141151355
Molecular FormulaC10H21ClO2
Molecular Weight208.73 g/mol
Exact Mass208.12
IUPAC Namemethyl nonanoate;hydrochloride
SMILESCCCCCCCCC(=O)OC.Cl
InChIInChI=1S/C10H20O2.ClH/c1-3-4-5-6-7-8-9-10(11)12-2;/h3-9H2,1-2H3;1H
InChIKeyXLEZKHGBZUFIAF-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl heptanoate;dihydrochloride
CID 140971064
methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
CID 159528754
CID 159528754
methanol;methyl decanoate
CID 174459243
potassium;hydride;methyl octadecanoate
CID 175153010
ethane;methyl hexanoate
CID 159004993
methyl 6-oxoicosanoate
CID 57100590
methyl 8-oxotridecanoate
CID 14454473
methyl 7-oxoicosanoate
CID 86186885

Frequently Asked Questions

What is the IUPAC name of methyl nonanoate;hydrochloride?
The IUPAC name of methyl nonanoate;hydrochloride (CID 141151355) is methyl nonanoate;hydrochloride.
What is the SMILES notation for methyl nonanoate;hydrochloride?
The canonical SMILES for methyl nonanoate;hydrochloride is CCCCCCCCC(=O)OC.Cl.
What is the InChIKey of methyl nonanoate;hydrochloride?
The InChIKey is XLEZKHGBZUFIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.ClH/c1-3-4-5-6-7-8-9-10(11)12-2;/h3-9H2,1-2H3;1H.
What are the key properties of methyl nonanoate;hydrochloride?
methyl nonanoate;hydrochloride has a molecular weight of 208.73 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl nonanoate;hydrochloride is sourced from PubChem (CID 141151355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).