3-methylidenepentanal

C6H10O — CID 11274968

IUPAC3-methylidenepentanal
SMILESC=C(CC)CC=O
InChIInChI=1S/C6H10O/c1-3-6(2)4-5-7/h5H,2-4H2,1H3
InChIKeyZMEPKIQHHHBKED-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.54
Rot. Bonds3

About 3-methylidenepentanal

3-methylidenepentanal (PubChem CID 11274968) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 3-methylidenepentanal.

Molecular Properties

Compound Name3-methylidenepentanal
PubChem CID11274968
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name3-methylidenepentanal
SMILESC=C(CC)CC=O
InChIInChI=1S/C6H10O/c1-3-6(2)4-5-7/h5H,2-4H2,1H3
InChIKeyZMEPKIQHHHBKED-UHFFFAOYSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of 3-methylidenepentanal?
The IUPAC name of 3-methylidenepentanal (CID 11274968) is 3-methylidenepentanal.
What is the SMILES notation for 3-methylidenepentanal?
The canonical SMILES for 3-methylidenepentanal is C=C(CC)CC=O.
What is the InChIKey of 3-methylidenepentanal?
The InChIKey is ZMEPKIQHHHBKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-3-6(2)4-5-7/h5H,2-4H2,1H3.
What are the key properties of 3-methylidenepentanal?
3-methylidenepentanal has a molecular weight of 98.14 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepentanal is sourced from PubChem (CID 11274968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).