ethyl 2-acetyl-10-(methoxymethoxy)decanoate

C16H30O5 — CID 11033999

IUPACethyl 2-acetyl-10-(methoxymethoxy)decanoate
SMILESCCOC(=O)C(CCCCCCCCOCOC)C(C)=O
InChIInChI=1S/C16H30O5/c1-4-21-16(18)15(14(2)17)11-9-7-5-6-8-10-12-20-13-19-3/h15H,4-13H2,1-3H3
InChIKeyLQJMQGJUNYVZOV-UHFFFAOYSA-N
MW302.41 g/mol
LogP3.11
Rot. Bonds14

About ethyl 2-acetyl-10-(methoxymethoxy)decanoate

ethyl 2-acetyl-10-(methoxymethoxy)decanoate (PubChem CID 11033999) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is ethyl 2-acetyl-10-(methoxymethoxy)decanoate.

Molecular Properties

Compound Nameethyl 2-acetyl-10-(methoxymethoxy)decanoate
PubChem CID11033999
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Nameethyl 2-acetyl-10-(methoxymethoxy)decanoate
SMILESCCOC(=O)C(CCCCCCCCOCOC)C(C)=O
InChIInChI=1S/C16H30O5/c1-4-21-16(18)15(14(2)17)11-9-7-5-6-8-10-12-20-13-19-3/h15H,4-13H2,1-3H3
InChIKeyLQJMQGJUNYVZOV-UHFFFAOYSA-N
XLogP3.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-acetyloctanoate
CID 121790
Heptanoic acid, 2-acetyl-, ethyl ester
CID 91162
Ethyl 2-oxocyclooctane-1-carboxylate
CID 227421
Ethyl 2-oxocycloheptane-1-carboxylate
CID 279795
Ethyl 2-acetylnonanoate
CID 98975
(4-Acetyl-3,4-dimethyl-5-oxooxolan-2-yl) octanoate
CID 455290
Tridecyl Stearoyl Stearate
CID 87208535
Ethyl 6-methyl-3-oxoheptanoate
CID 15734035
Ethyl 2-acetyldecanoate
CID 91163
Methyl 2-acetyloctanoate
CID 3390996
Methyl 2-acetylheptanoate
CID 10511765
Ethyl 2-(cyclohexylmethyl)-3-oxobutanoate
CID 230425

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyl-10-(methoxymethoxy)decanoate?
The IUPAC name of ethyl 2-acetyl-10-(methoxymethoxy)decanoate (CID 11033999) is ethyl 2-acetyl-10-(methoxymethoxy)decanoate.
What is the SMILES notation for ethyl 2-acetyl-10-(methoxymethoxy)decanoate?
The canonical SMILES for ethyl 2-acetyl-10-(methoxymethoxy)decanoate is CCOC(=O)C(CCCCCCCCOCOC)C(C)=O.
What is the InChIKey of ethyl 2-acetyl-10-(methoxymethoxy)decanoate?
The InChIKey is LQJMQGJUNYVZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1-4-21-16(18)15(14(2)17)11-9-7-5-6-8-10-12-20-13-19-3/h15H,4-13H2,1-3H3.
What are the key properties of ethyl 2-acetyl-10-(methoxymethoxy)decanoate?
ethyl 2-acetyl-10-(methoxymethoxy)decanoate has a molecular weight of 302.41 g/mol, XLogP of 3.11, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyl-10-(methoxymethoxy)decanoate is sourced from PubChem (CID 11033999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).