2-ethylheptadecanal

C19H38O — CID 18629573

IUPAC2-ethylheptadecanal
SMILESCCCCCCCCCCCCCCCC(C=O)CC
InChIInChI=1S/C19H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(4-2)18-20/h18-19H,3-17H2,1-2H3
InChIKeyJTJHUJKROKHLLW-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.69
Rot. Bonds16

About 2-ethylheptadecanal

2-ethylheptadecanal (PubChem CID 18629573) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 2-ethylheptadecanal.

Molecular Properties

Compound Name2-ethylheptadecanal
PubChem CID18629573
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name2-ethylheptadecanal
SMILESCCCCCCCCCCCCCCCC(C=O)CC
InChIInChI=1S/C19H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(4-2)18-20/h18-19H,3-17H2,1-2H3
InChIKeyJTJHUJKROKHLLW-UHFFFAOYSA-N
XLogP6.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-ethylhexanal;tantalum
CID 87424385
2-ethylhexanal;methane
CID 139299505
2-ethylhexanal;phosphane
CID 174518467
2-hexadecylbutanedial
CID 23443177
2-dodecylbutanedial
CID 19787656
2-(6-chlorohexyl)dodecanal
CID 175197438
2-prop-2-enyloctadecanal
CID 173235739
2-(2-chloroethyl)decanal
CID 175197412
2-undecylpentadecanedial
CID 91207185
(2S)-2-ethylpentanal
CID 71368973
2-(2-aminoethyl)heptanal
CID 163417417
5-chloro-2-ethylpentanal
CID 13118181

Frequently Asked Questions

What is the IUPAC name of 2-ethylheptadecanal?
The IUPAC name of 2-ethylheptadecanal (CID 18629573) is 2-ethylheptadecanal.
What is the SMILES notation for 2-ethylheptadecanal?
The canonical SMILES for 2-ethylheptadecanal is CCCCCCCCCCCCCCCC(C=O)CC.
What is the InChIKey of 2-ethylheptadecanal?
The InChIKey is JTJHUJKROKHLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(4-2)18-20/h18-19H,3-17H2,1-2H3.
What are the key properties of 2-ethylheptadecanal?
2-ethylheptadecanal has a molecular weight of 282.51 g/mol, XLogP of 6.69, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylheptadecanal is sourced from PubChem (CID 18629573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).