2,4-dimethoxypent-2-ene

C7H14O2 — CID 72606549

IUPAC2,4-dimethoxypent-2-ene
SMILESCOC(C)=CC(C)OC
InChIInChI=1S/C7H14O2/c1-6(8-3)5-7(2)9-4/h5-6H,1-4H3
InChIKeyIOQGRQFNQZZTDY-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.57
Rot. Bonds3

About 2,4-dimethoxypent-2-ene

2,4-dimethoxypent-2-ene (PubChem CID 72606549) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2,4-dimethoxypent-2-ene.

Molecular Properties

Compound Name2,4-dimethoxypent-2-ene
PubChem CID72606549
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2,4-dimethoxypent-2-ene
SMILESCOC(C)=CC(C)OC
InChIInChI=1S/C7H14O2/c1-6(8-3)5-7(2)9-4/h5-6H,1-4H3
InChIKeyIOQGRQFNQZZTDY-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,4-dimethoxypent-2-ene?
The IUPAC name of 2,4-dimethoxypent-2-ene (CID 72606549) is 2,4-dimethoxypent-2-ene.
What is the SMILES notation for 2,4-dimethoxypent-2-ene?
The canonical SMILES for 2,4-dimethoxypent-2-ene is COC(C)=CC(C)OC.
What is the InChIKey of 2,4-dimethoxypent-2-ene?
The InChIKey is IOQGRQFNQZZTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6(8-3)5-7(2)9-4/h5-6H,1-4H3.
What are the key properties of 2,4-dimethoxypent-2-ene?
2,4-dimethoxypent-2-ene has a molecular weight of 130.19 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxypent-2-ene is sourced from PubChem (CID 72606549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).