4-methoxy-2,3-dimethylpent-2-enal

C8H14O2 — CID 91559061

IUPAC4-methoxy-2,3-dimethylpent-2-enal
SMILESCOC(C)C(C)=C(C)C=O
InChIInChI=1S/C8H14O2/c1-6(5-9)7(2)8(3)10-4/h5,8H,1-4H3
InChIKeyGADBZGWNEUHSGM-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.56
Rot. Bonds3

About 4-methoxy-2,3-dimethylpent-2-enal

4-methoxy-2,3-dimethylpent-2-enal (PubChem CID 91559061) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethylpent-2-enal.

Molecular Properties

Compound Name4-methoxy-2,3-dimethylpent-2-enal
PubChem CID91559061
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-methoxy-2,3-dimethylpent-2-enal
SMILESCOC(C)C(C)=C(C)C=O
InChIInChI=1S/C8H14O2/c1-6(5-9)7(2)8(3)10-4/h5,8H,1-4H3
InChIKeyGADBZGWNEUHSGM-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethylpent-2-enal?
The IUPAC name of 4-methoxy-2,3-dimethylpent-2-enal (CID 91559061) is 4-methoxy-2,3-dimethylpent-2-enal.
What is the SMILES notation for 4-methoxy-2,3-dimethylpent-2-enal?
The canonical SMILES for 4-methoxy-2,3-dimethylpent-2-enal is COC(C)C(C)=C(C)C=O.
What is the InChIKey of 4-methoxy-2,3-dimethylpent-2-enal?
The InChIKey is GADBZGWNEUHSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(5-9)7(2)8(3)10-4/h5,8H,1-4H3.
What are the key properties of 4-methoxy-2,3-dimethylpent-2-enal?
4-methoxy-2,3-dimethylpent-2-enal has a molecular weight of 142.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethylpent-2-enal is sourced from PubChem (CID 91559061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).