5-methyl-2-propylhex-4-enal

C10H18O — CID 12923922

IUPAC5-methyl-2-propylhex-4-enal
SMILESCCCC(C=O)CC=C(C)C
InChIInChI=1S/C10H18O/c1-4-5-10(8-11)7-6-9(2)3/h6,8,10H,4-5,7H2,1-3H3
InChIKeySGNZUUBAAFVFFT-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds5

About 5-methyl-2-propylhex-4-enal

5-methyl-2-propylhex-4-enal (PubChem CID 12923922) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 5-methyl-2-propylhex-4-enal.

Molecular Properties

Compound Name5-methyl-2-propylhex-4-enal
PubChem CID12923922
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name5-methyl-2-propylhex-4-enal
SMILESCCCC(C=O)CC=C(C)C
InChIInChI=1S/C10H18O/c1-4-5-10(8-11)7-6-9(2)3/h6,8,10H,4-5,7H2,1-3H3
InChIKeySGNZUUBAAFVFFT-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.96
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-(3-methylbut-2-enyl)butanedial
CID 88557096
(2S)-2-ethylpentanal
CID 71368973
3-formylhexyl acetate
CID 88900072
2-(2-chloroethyl)pentanal
CID 175205251
2-propylpentanedial
CID 86120951
5-ethenyl-2-methyldodec-2-ene
CID 134980281
(2S)-2-benzyl-5-methylhex-4-enal
CID 11424225
(E)-2-propyltridec-4-enal
CID 118354645
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
methyl (2R)-2-[(1R)-1-hydroxybutyl]-5-methylhex-4-enoate
CID 11745984
(4S)-3,4,7-trimethyloct-6-enal
CID 89108155
3-formylhexyl propanoate
CID 123908121

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propylhex-4-enal?
The IUPAC name of 5-methyl-2-propylhex-4-enal (CID 12923922) is 5-methyl-2-propylhex-4-enal.
What is the SMILES notation for 5-methyl-2-propylhex-4-enal?
The canonical SMILES for 5-methyl-2-propylhex-4-enal is CCCC(C=O)CC=C(C)C.
What is the InChIKey of 5-methyl-2-propylhex-4-enal?
The InChIKey is SGNZUUBAAFVFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-10(8-11)7-6-9(2)3/h6,8,10H,4-5,7H2,1-3H3.
What are the key properties of 5-methyl-2-propylhex-4-enal?
5-methyl-2-propylhex-4-enal has a molecular weight of 154.25 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propylhex-4-enal is sourced from PubChem (CID 12923922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).