(2S)-2-ethylpentanal

C7H14O — CID 71368973

IUPAC(2S)-2-ethylpentanal
SMILESCCC[C@@H](C=O)CC
InChIInChI=1S/C7H14O/c1-3-5-7(4-2)6-8/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyOZGRFPZYTKHWMZ-ZETCQYMHSA-N
MW114.19 g/mol
LogP2.01
Rot. Bonds4

About (2S)-2-ethylpentanal

(2S)-2-ethylpentanal (PubChem CID 71368973) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (2S)-2-ethylpentanal.

Molecular Properties

Compound Name(2S)-2-ethylpentanal
PubChem CID71368973
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(2S)-2-ethylpentanal
SMILESCCC[C@@H](C=O)CC
InChIInChI=1S/C7H14O/c1-3-5-7(4-2)6-8/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyOZGRFPZYTKHWMZ-ZETCQYMHSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-ethylheptadecanal
CID 18629573
2-ethylpentanal;5-methylhexanal
CID 23315878
2-(2-chloroethyl)pentanal
CID 175205251
2-propylpentanedial
CID 86120951
5-chloro-2-ethylpentanal
CID 13118181
(5R)-6-methyl-2,5-dipropyloctanal
CID 143527461
5-methyl-2-propylhex-4-enal
CID 12923922
2-ethylhept-5-enal
CID 159875666
6-formyloctanenitrile
CID 20570606

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethylpentanal?
The IUPAC name of (2S)-2-ethylpentanal (CID 71368973) is (2S)-2-ethylpentanal.
What is the SMILES notation for (2S)-2-ethylpentanal?
The canonical SMILES for (2S)-2-ethylpentanal is CCC[C@@H](C=O)CC.
What is the InChIKey of (2S)-2-ethylpentanal?
The InChIKey is OZGRFPZYTKHWMZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14O/c1-3-5-7(4-2)6-8/h6-7H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-ethylpentanal?
(2S)-2-ethylpentanal has a molecular weight of 114.19 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethylpentanal is sourced from PubChem (CID 71368973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).