3-ethenyl-3-methoxypenta-1,4-diene

C8H12O — CID 58385664

IUPAC3-ethenyl-3-methoxypenta-1,4-diene
SMILESC=CC(C=C)(C=C)OC
InChIInChI=1S/C8H12O/c1-5-8(6-2,7-3)9-4/h5-7H,1-3H2,4H3
InChIKeyVMRXRJMXZRLCTK-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.93
Rot. Bonds4

About 3-ethenyl-3-methoxypenta-1,4-diene

3-ethenyl-3-methoxypenta-1,4-diene (PubChem CID 58385664) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-ethenyl-3-methoxypenta-1,4-diene.

Molecular Properties

Compound Name3-ethenyl-3-methoxypenta-1,4-diene
PubChem CID58385664
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-ethenyl-3-methoxypenta-1,4-diene
SMILESC=CC(C=C)(C=C)OC
InChIInChI=1S/C8H12O/c1-5-8(6-2,7-3)9-4/h5-7H,1-3H2,4H3
InChIKeyVMRXRJMXZRLCTK-UHFFFAOYSA-N
XLogP1.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-methoxypenta-1,4-diene?
The IUPAC name of 3-ethenyl-3-methoxypenta-1,4-diene (CID 58385664) is 3-ethenyl-3-methoxypenta-1,4-diene.
What is the SMILES notation for 3-ethenyl-3-methoxypenta-1,4-diene?
The canonical SMILES for 3-ethenyl-3-methoxypenta-1,4-diene is C=CC(C=C)(C=C)OC.
What is the InChIKey of 3-ethenyl-3-methoxypenta-1,4-diene?
The InChIKey is VMRXRJMXZRLCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-5-8(6-2,7-3)9-4/h5-7H,1-3H2,4H3.
What are the key properties of 3-ethenyl-3-methoxypenta-1,4-diene?
3-ethenyl-3-methoxypenta-1,4-diene has a molecular weight of 124.18 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-methoxypenta-1,4-diene is sourced from PubChem (CID 58385664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).