2-methoxypenta-1,4-diene

C6H10O — CID 12625760

IUPAC2-methoxypenta-1,4-diene
SMILESC=CCC(=C)OC
InChIInChI=1S/C6H10O/c1-4-5-6(2)7-3/h4H,1-2,5H2,3H3
InChIKeyJIMXMCFFUHMZBZ-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.72
Rot. Bonds3

About 2-methoxypenta-1,4-diene

2-methoxypenta-1,4-diene (PubChem CID 12625760) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2-methoxypenta-1,4-diene.

Molecular Properties

Compound Name2-methoxypenta-1,4-diene
PubChem CID12625760
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2-methoxypenta-1,4-diene
SMILESC=CCC(=C)OC
InChIInChI=1S/C6H10O/c1-4-5-6(2)7-3/h4H,1-2,5H2,3H3
InChIKeyJIMXMCFFUHMZBZ-UHFFFAOYSA-N
XLogP1.72
TPSA9.23 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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methoxypenta-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

Related Compounds

2-methoxyocta-1,7-diene
CID 16726270
penta-1,4-dien-2-yl acetate
CID 87522021
N-methylpenta-1,4-dien-2-amine
CID 144973038
(3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol
CID 15417235
penta-1,4-dien-2-yl prop-2-enoate
CID 175556103
methyl 2-aminopent-4-enoate
CID 10877146
(1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine
CID 134987819
ethane;methyl (2S)-2-aminopent-4-enoate
CID 143525314
4-ethenylhexa-1,4-diene
CID 85441048
2-methoxyicos-1-ene
CID 175283491
2-penta-1,4-dien-2-yloxyethoxybenzene
CID 57219180
methyl N-[(2E,4Z)-7-methoxyocta-2,4,7-trien-2-yl]ethanimidate
CID 155108050

Frequently Asked Questions

What is the IUPAC name of 2-methoxypenta-1,4-diene?
The IUPAC name of 2-methoxypenta-1,4-diene (CID 12625760) is 2-methoxypenta-1,4-diene.
What is the SMILES notation for 2-methoxypenta-1,4-diene?
The canonical SMILES for 2-methoxypenta-1,4-diene is C=CCC(=C)OC.
What is the InChIKey of 2-methoxypenta-1,4-diene?
The InChIKey is JIMXMCFFUHMZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-4-5-6(2)7-3/h4H,1-2,5H2,3H3.
What are the key properties of 2-methoxypenta-1,4-diene?
2-methoxypenta-1,4-diene has a molecular weight of 98.14 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypenta-1,4-diene is sourced from PubChem (CID 12625760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).