2-ethylhexanal;phosphane

C8H19OP — CID 174518467

IUPAC2-ethylhexanal;phosphane
SMILESCCCCC(C=O)CC.P
InChIInChI=1S/C8H16O.H3P/c1-3-5-6-8(4-2)7-9;/h7-8H,3-6H2,1-2H3;1H3
InChIKeyVSMWFJQQPGIOPU-UHFFFAOYSA-N
MW162.21 g/mol
LogP2.46
Rot. Bonds5

About 2-ethylhexanal;phosphane

2-ethylhexanal;phosphane (PubChem CID 174518467) has the molecular formula C8H19OP and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-ethylhexanal;phosphane.

Molecular Properties

Compound Name2-ethylhexanal;phosphane
PubChem CID174518467
Molecular FormulaC8H19OP
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name2-ethylhexanal;phosphane
SMILESCCCCC(C=O)CC.P
InChIInChI=1S/C8H16O.H3P/c1-3-5-6-8(4-2)7-9;/h7-8H,3-6H2,1-2H3;1H3
InChIKeyVSMWFJQQPGIOPU-UHFFFAOYSA-N
XLogP2.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexanal;tantalum
CID 87424385
2-ethylhexanal;methane
CID 139299505
2-ethylheptadecanal
CID 18629573
(2S)-2-ethylpentanal
CID 71368973
2-ethylhexanal;2-methylprop-2-enamide
CID 174294578
5-chloro-2-ethylpentanal
CID 13118181
2-(sulfanylmethyl)hexanal
CID 527437
6-formyloctanenitrile
CID 20570606
1-methyltricosane-1,6,12,19-tetracarbaldehyde
CID 174477373
(5E,8E)-2-ethyltetradeca-5,8-dienal
CID 118354605
3-ethylhept-1-ene
CID 12923943
2-(2-aminoethyl)heptanal
CID 163417417

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexanal;phosphane?
The IUPAC name of 2-ethylhexanal;phosphane (CID 174518467) is 2-ethylhexanal;phosphane.
What is the SMILES notation for 2-ethylhexanal;phosphane?
The canonical SMILES for 2-ethylhexanal;phosphane is CCCCC(C=O)CC.P.
What is the InChIKey of 2-ethylhexanal;phosphane?
The InChIKey is VSMWFJQQPGIOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.H3P/c1-3-5-6-8(4-2)7-9;/h7-8H,3-6H2,1-2H3;1H3.
What are the key properties of 2-ethylhexanal;phosphane?
2-ethylhexanal;phosphane has a molecular weight of 162.21 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexanal;phosphane is sourced from PubChem (CID 174518467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).