2-ethyl-3-methyl-4-oxotetradecanal

C17H32O2 — CID 88679242

IUPAC2-ethyl-3-methyl-4-oxotetradecanal
SMILESCCCCCCCCCCC(=O)C(C)C(C=O)CC
InChIInChI=1S/C17H32O2/c1-4-6-7-8-9-10-11-12-13-17(19)15(3)16(5-2)14-18/h14-16H,4-13H2,1-3H3
InChIKeyBWRQNOAOQUEEEH-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.95
Rot. Bonds13

About 2-ethyl-3-methyl-4-oxotetradecanal

2-ethyl-3-methyl-4-oxotetradecanal (PubChem CID 88679242) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-ethyl-3-methyl-4-oxotetradecanal.

Molecular Properties

Compound Name2-ethyl-3-methyl-4-oxotetradecanal
PubChem CID88679242
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2-ethyl-3-methyl-4-oxotetradecanal
SMILESCCCCCCCCCCC(=O)C(C)C(C=O)CC
InChIInChI=1S/C17H32O2/c1-4-6-7-8-9-10-11-12-13-17(19)15(3)16(5-2)14-18/h14-16H,4-13H2,1-3H3
InChIKeyBWRQNOAOQUEEEH-UHFFFAOYSA-N
XLogP4.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-2,3-dimethylnonadecan-4-one
CID 174010260
2-amino-3-methyldodecan-4-one
CID 116612115
2-methyl-3-oxoheptanal
CID 89327816
2-methylhexadecan-3-one
CID 58030381
25-methylnonatetracontane-24,26-dione
CID 173069947
15-amino-16-methyltriacontane-14,17-dione
CID 175604628
[(2R)-3-oxooctadecan-2-yl]azanium chloride
CID 158532608
2-dodecyl-3-oxopentadecanal
CID 91176354
2-nonadecyl-3-oxodocosanal
CID 90945652
2-hydroxyicosan-3-one
CID 57023276
2-methyl-3-oxoicosanethioic S-acid
CID 141055221
N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide
CID 87974020

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-4-oxotetradecanal?
The IUPAC name of 2-ethyl-3-methyl-4-oxotetradecanal (CID 88679242) is 2-ethyl-3-methyl-4-oxotetradecanal.
What is the SMILES notation for 2-ethyl-3-methyl-4-oxotetradecanal?
The canonical SMILES for 2-ethyl-3-methyl-4-oxotetradecanal is CCCCCCCCCCC(=O)C(C)C(C=O)CC.
What is the InChIKey of 2-ethyl-3-methyl-4-oxotetradecanal?
The InChIKey is BWRQNOAOQUEEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-6-7-8-9-10-11-12-13-17(19)15(3)16(5-2)14-18/h14-16H,4-13H2,1-3H3.
What are the key properties of 2-ethyl-3-methyl-4-oxotetradecanal?
2-ethyl-3-methyl-4-oxotetradecanal has a molecular weight of 268.44 g/mol, XLogP of 4.95, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-4-oxotetradecanal is sourced from PubChem (CID 88679242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).