Ethyl Nonanoate

C11H22O2 — CID 31251

IUPACethyl nonanoate
SMILESCCCCCCCCC(=O)OCC
InChIInChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
InChIKeyBYEVBITUADOIGY-UHFFFAOYSA-N
MW186.29 g/mol
LogP4.00
Rot. Bonds9

About Ethyl Nonanoate

Ethyl Nonanoate (PubChem CID 31251) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is ethyl nonanoate.

Molecular Properties

Compound NameEthyl Nonanoate
PubChem CID31251
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Nameethyl nonanoate
SMILESCCCCCCCCC(=O)OCC
InChIInChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
InChIKeyBYEVBITUADOIGY-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity121

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 54.00
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

Isopropyl Myristate
CID 8042
Octyl Acetate
CID 8164
Ethyl hexanoate
CID 31265
Gamma-Decalactone
CID 12813
Methyl Palmitate
CID 8181
Gamma-Nonalactone
CID 7710
Dibutyl Sebacate
CID 7986
Isopropyl Palmitate
CID 8907
Methyl Laurate
CID 8139
Methyl Decanoate
CID 8050
Gamma-undecalactone
CID 7714
Methyl Octanoate
CID 8091

Frequently Asked Questions

What is the IUPAC name of Ethyl Nonanoate?
The IUPAC name of Ethyl Nonanoate (CID 31251) is ethyl nonanoate.
What is the SMILES notation for Ethyl Nonanoate?
The canonical SMILES for Ethyl Nonanoate is CCCCCCCCC(=O)OCC.
What is the InChIKey of Ethyl Nonanoate?
The InChIKey is BYEVBITUADOIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3.
What are the key properties of Ethyl Nonanoate?
Ethyl Nonanoate has a molecular weight of 186.29 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl Nonanoate is sourced from PubChem (CID 31251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).