2,4-dimethoxypenta-1,3-diene

C7H12O2 — CID 90861204

IUPAC2,4-dimethoxypenta-1,3-diene
SMILESC=C(C=C(C)OC)OC
InChIInChI=1S/C7H12O2/c1-6(8-3)5-7(2)9-4/h5H,1H2,2-4H3
InChIKeyVAIWPHLMMRIUCX-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.70
Rot. Bonds3

About 2,4-dimethoxypenta-1,3-diene

2,4-dimethoxypenta-1,3-diene (PubChem CID 90861204) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2,4-dimethoxypenta-1,3-diene.

Molecular Properties

Compound Name2,4-dimethoxypenta-1,3-diene
PubChem CID90861204
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2,4-dimethoxypenta-1,3-diene
SMILESC=C(C=C(C)OC)OC
InChIInChI=1S/C7H12O2/c1-6(8-3)5-7(2)9-4/h5H,1H2,2-4H3
InChIKeyVAIWPHLMMRIUCX-UHFFFAOYSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-methoxy-N-methyl-2-methylidenepent-3-en-1-amine
CID 142133536
4-methoxy-2-methylpenta-2,4-dienal
CID 123705990
N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine
CID 156714992
(3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene
CID 145066149
(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
CID 123158046
(2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol
CID 126606756
acetonitrile;methoxymethane;(3E)-4-methoxy-2-methylpenta-1,3-diene;propane
CID 144653541
(3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene
CID 130337292
3-methoxybut-2-enoyl chloride
CID 54557484
(Z)-3-methoxybut-2-enethioic S-acid
CID 146597940
ethane;(3Z)-2-methoxy-5-methylhexa-1,3,5-triene
CID 144626557

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxypenta-1,3-diene?
The IUPAC name of 2,4-dimethoxypenta-1,3-diene (CID 90861204) is 2,4-dimethoxypenta-1,3-diene.
What is the SMILES notation for 2,4-dimethoxypenta-1,3-diene?
The canonical SMILES for 2,4-dimethoxypenta-1,3-diene is C=C(C=C(C)OC)OC.
What is the InChIKey of 2,4-dimethoxypenta-1,3-diene?
The InChIKey is VAIWPHLMMRIUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6(8-3)5-7(2)9-4/h5H,1H2,2-4H3.
What are the key properties of 2,4-dimethoxypenta-1,3-diene?
2,4-dimethoxypenta-1,3-diene has a molecular weight of 128.17 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxypenta-1,3-diene is sourced from PubChem (CID 90861204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).