4-methyl-3-prop-1-en-2-ylpent-4-enal

C9H14O — CID 10510921

IUPAC4-methyl-3-prop-1-en-2-ylpent-4-enal
SMILESC=C(C)C(CC=O)C(=C)C
InChIInChI=1S/C9H14O/c1-7(2)9(5-6-10)8(3)4/h6,9H,1,3,5H2,2,4H3
InChIKeyLRKPADJBMQRULN-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.34
Rot. Bonds4

About 4-methyl-3-prop-1-en-2-ylpent-4-enal

4-methyl-3-prop-1-en-2-ylpent-4-enal (PubChem CID 10510921) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-methyl-3-prop-1-en-2-ylpent-4-enal.

Molecular Properties

Compound Name4-methyl-3-prop-1-en-2-ylpent-4-enal
PubChem CID10510921
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4-methyl-3-prop-1-en-2-ylpent-4-enal
SMILESC=C(C)C(CC=O)C(=C)C
InChIInChI=1S/C9H14O/c1-7(2)9(5-6-10)8(3)4/h6,9H,1,3,5H2,2,4H3
InChIKeyLRKPADJBMQRULN-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.34
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

4-Pentenal, 2-ethyl-
CID 21264
Npc106106
CID 110898
4-Methylpent-4-enal
CID 10197635
4-Methyl-2-methylidenehexanal
CID 130025202
2-Prop-2-enylpent-4-enal
CID 11378487
3-Prop-1-en-2-ylhept-6-enal
CID 13564023
4-Hexenal, 5-methyl-2-(1-methylethenyl)-, (2R)-
CID 21118712
3,6-Dimethylhept-5-enal
CID 11007994
4-Pentenal, 2,4-dimethyl-, (2S)-
CID 11788277
2,5-Dimethylhex-5-enal
CID 13791913
3,5-Dimethylhex-5-enal
CID 13947414
(E)-3-methylhept-5-enal
CID 14815833

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-prop-1-en-2-ylpent-4-enal?
The IUPAC name of 4-methyl-3-prop-1-en-2-ylpent-4-enal (CID 10510921) is 4-methyl-3-prop-1-en-2-ylpent-4-enal.
What is the SMILES notation for 4-methyl-3-prop-1-en-2-ylpent-4-enal?
The canonical SMILES for 4-methyl-3-prop-1-en-2-ylpent-4-enal is C=C(C)C(CC=O)C(=C)C.
What is the InChIKey of 4-methyl-3-prop-1-en-2-ylpent-4-enal?
The InChIKey is LRKPADJBMQRULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7(2)9(5-6-10)8(3)4/h6,9H,1,3,5H2,2,4H3.
What are the key properties of 4-methyl-3-prop-1-en-2-ylpent-4-enal?
4-methyl-3-prop-1-en-2-ylpent-4-enal has a molecular weight of 138.21 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-prop-1-en-2-ylpent-4-enal is sourced from PubChem (CID 10510921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).