3-methoxypenta-1,2-diene

C6H10O — CID 71350747

IUPAC3-methoxypenta-1,2-diene
SMILESC=C=C(CC)OC
InChIInChI=1S/C6H10O/c1-4-6(5-2)7-3/h1,5H2,2-3H3
InChIKeyUIGBGUJLQRGAHG-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.71
Rot. Bonds2

About 3-methoxypenta-1,2-diene

3-methoxypenta-1,2-diene (PubChem CID 71350747) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 3-methoxypenta-1,2-diene.

Molecular Properties

Compound Name3-methoxypenta-1,2-diene
PubChem CID71350747
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name3-methoxypenta-1,2-diene
SMILESC=C=C(CC)OC
InChIInChI=1S/C6H10O/c1-4-6(5-2)7-3/h1,5H2,2-3H3
InChIKeyUIGBGUJLQRGAHG-UHFFFAOYSA-N
XLogP1.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypenta-1,2-diene?
The IUPAC name of 3-methoxypenta-1,2-diene (CID 71350747) is 3-methoxypenta-1,2-diene.
What is the SMILES notation for 3-methoxypenta-1,2-diene?
The canonical SMILES for 3-methoxypenta-1,2-diene is C=C=C(CC)OC.
What is the InChIKey of 3-methoxypenta-1,2-diene?
The InChIKey is UIGBGUJLQRGAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-4-6(5-2)7-3/h1,5H2,2-3H3.
What are the key properties of 3-methoxypenta-1,2-diene?
3-methoxypenta-1,2-diene has a molecular weight of 98.14 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypenta-1,2-diene is sourced from PubChem (CID 71350747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).