2-prop-2-enylpent-4-enal

C8H12O — CID 11378487

IUPAC2-prop-2-enylpent-4-enal
SMILESC=CCC(C=O)CC=C
InChIInChI=1S/C8H12O/c1-3-5-8(7-9)6-4-2/h3-4,7-8H,1-2,5-6H2
InChIKeyCMNGLVWCRYGHCB-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.95
Rot. Bonds5

About 2-prop-2-enylpent-4-enal

2-prop-2-enylpent-4-enal (PubChem CID 11378487) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-prop-2-enylpent-4-enal.

Molecular Properties

Compound Name2-prop-2-enylpent-4-enal
PubChem CID11378487
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-prop-2-enylpent-4-enal
SMILESC=CCC(C=O)CC=C
InChIInChI=1S/C8H12O/c1-3-5-8(7-9)6-4-2/h3-4,7-8H,1-2,5-6H2
InChIKeyCMNGLVWCRYGHCB-UHFFFAOYSA-N
XLogP1.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methylpent-4-enal
CID 521355
4-Pentenal, 2-ethyl-
CID 21264
2,3-Dimethylpent-4-enal
CID 110697
Cyclopent-3-ene-1-carbaldehyde
CID 5314123
3,3-Dimethylhex-5-enal
CID 11062394
3-Methyl-4-pentenal
CID 15683
(3S)-3-methylpent-4-enal
CID 59787455
(S)-4-Methylhex-5-enal
CID 11029793
(R)-4-Methylhex-5-enal
CID 13755667
(2S)-2-methyl-4-pentenal
CID 10176097
4-Methylhex-5-enal
CID 3017390
(2R)-2-methylpent-4-enal
CID 11018811

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylpent-4-enal?
The IUPAC name of 2-prop-2-enylpent-4-enal (CID 11378487) is 2-prop-2-enylpent-4-enal.
What is the SMILES notation for 2-prop-2-enylpent-4-enal?
The canonical SMILES for 2-prop-2-enylpent-4-enal is C=CCC(C=O)CC=C.
What is the InChIKey of 2-prop-2-enylpent-4-enal?
The InChIKey is CMNGLVWCRYGHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-5-8(7-9)6-4-2/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2-prop-2-enylpent-4-enal?
2-prop-2-enylpent-4-enal has a molecular weight of 124.18 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylpent-4-enal is sourced from PubChem (CID 11378487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).