2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene

C10H16O — CID 11159420

IUPAC2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene
SMILESC=CCOC(C(=C)C)C(=C)C
InChIInChI=1S/C10H16O/c1-6-7-11-10(8(2)3)9(4)5/h6,10H,1-2,4,7H2,3,5H3
InChIKeyADWPUZCAYBVLAT-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds5

About 2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene

2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene (PubChem CID 11159420) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene.

Molecular Properties

Compound Name2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene
PubChem CID11159420
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene
SMILESC=CCOC(C(=C)C)C(=C)C
InChIInChI=1S/C10H16O/c1-6-7-11-10(8(2)3)9(4)5/h6,10H,1-2,4,7H2,3,5H3
InChIKeyADWPUZCAYBVLAT-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene?
The IUPAC name of 2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene (CID 11159420) is 2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene.
What is the SMILES notation for 2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene?
The canonical SMILES for 2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene is C=CCOC(C(=C)C)C(=C)C.
What is the InChIKey of 2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene?
The InChIKey is ADWPUZCAYBVLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-6-7-11-10(8(2)3)9(4)5/h6,10H,1-2,4,7H2,3,5H3.
What are the key properties of 2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene?
2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene has a molecular weight of 152.24 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-prop-2-enoxypenta-1,4-diene is sourced from PubChem (CID 11159420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).