dichloromethane;ethyl nonanoate;methanol

C13H28Cl2O3 — CID 87514149

IUPACdichloromethane;ethyl nonanoate;methanol
SMILESCCCCCCCCC(=O)OCC.CO.ClCCl
InChIInChI=1S/C11H22O2.CH2Cl2.CH4O/c1-3-5-6-7-8-9-10-11(12)13-4-2;2-1-3;1-2/h3-10H2,1-2H3;1H2;2H,1H3
InChIKeyKPJIVVJBXYJYLH-UHFFFAOYSA-N
MW303.27 g/mol
LogP4.33
Rot. Bonds8

About dichloromethane;ethyl nonanoate;methanol

dichloromethane;ethyl nonanoate;methanol (PubChem CID 87514149) has the molecular formula C13H28Cl2O3 and a molecular weight of 303.27 g/mol. Its IUPAC name is dichloromethane;ethyl nonanoate;methanol.

Molecular Properties

Compound Namedichloromethane;ethyl nonanoate;methanol
PubChem CID87514149
Molecular FormulaC13H28Cl2O3
Molecular Weight303.27 g/mol
Exact Mass302.14
IUPAC Namedichloromethane;ethyl nonanoate;methanol
SMILESCCCCCCCCC(=O)OCC.CO.ClCCl
InChIInChI=1S/C11H22O2.CH2Cl2.CH4O/c1-3-5-6-7-8-9-10-11(12)13-4-2;2-1-3;1-2/h3-10H2,1-2H3;1H2;2H,1H3
InChIKeyKPJIVVJBXYJYLH-UHFFFAOYSA-N
XLogP4.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl decanoate;methanol
CID 161391102
ethyl undecanoate
CID 12327
ethyl hexanoate;gadolinium
CID 174444534
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
sodium;ethyl octadecanoate;hydride
CID 174731148
ethyl hexanoate;tungsten
CID 175314088
ethyl hexanoate;gallane
CID 174708288
ethyl hexanoate;mercury
CID 174624991
ethyl hexanoate;nickel(2+)
CID 162067155
ethyl hexanoate;titanium
CID 87406037

Frequently Asked Questions

What is the IUPAC name of dichloromethane;ethyl nonanoate;methanol?
The IUPAC name of dichloromethane;ethyl nonanoate;methanol (CID 87514149) is dichloromethane;ethyl nonanoate;methanol.
What is the SMILES notation for dichloromethane;ethyl nonanoate;methanol?
The canonical SMILES for dichloromethane;ethyl nonanoate;methanol is CCCCCCCCC(=O)OCC.CO.ClCCl.
What is the InChIKey of dichloromethane;ethyl nonanoate;methanol?
The InChIKey is KPJIVVJBXYJYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.CH2Cl2.CH4O/c1-3-5-6-7-8-9-10-11(12)13-4-2;2-1-3;1-2/h3-10H2,1-2H3;1H2;2H,1H3.
What are the key properties of dichloromethane;ethyl nonanoate;methanol?
dichloromethane;ethyl nonanoate;methanol has a molecular weight of 303.27 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;ethyl nonanoate;methanol is sourced from PubChem (CID 87514149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).