5-methoxy-2,4-dimethylpent-1-en-3-one

C8H14O2 — CID 20663748

IUPAC5-methoxy-2,4-dimethylpent-1-en-3-one
SMILESC=C(C)C(=O)C(C)COC
InChIInChI=1S/C8H14O2/c1-6(2)8(9)7(3)5-10-4/h7H,1,5H2,2-4H3
InChIKeyHSALKNLZCIOCJW-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.41
Rot. Bonds4

About 5-methoxy-2,4-dimethylpent-1-en-3-one

5-methoxy-2,4-dimethylpent-1-en-3-one (PubChem CID 20663748) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-methoxy-2,4-dimethylpent-1-en-3-one.

Molecular Properties

Compound Name5-methoxy-2,4-dimethylpent-1-en-3-one
PubChem CID20663748
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-methoxy-2,4-dimethylpent-1-en-3-one
SMILESC=C(C)C(=O)C(C)COC
InChIInChI=1S/C8H14O2/c1-6(2)8(9)7(3)5-10-4/h7H,1,5H2,2-4H3
InChIKeyHSALKNLZCIOCJW-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylpent-1-en-3-one;4-methoxybut-1-ene
CID 157278804
4-amino-6-methoxy-2-methylhex-1-en-3-one
CID 116567275
3-methoxy-2-methylpropanamide;hydrochloride
CID 88805694
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
1-methoxy-2,5-dimethylhex-4-en-3-one
CID 130028350
1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 22918055
1-methoxy-2-methylhex-5-en-3-one
CID 44719359
5-hydroxy-6-methoxy-2-methylhex-1-en-3-one
CID 90779314
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
zinc bis(2-methyl-3-(2-methylprop-2-enoyloxy)propanoate)
CID 160963047
2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid
CID 119170014

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,4-dimethylpent-1-en-3-one?
The IUPAC name of 5-methoxy-2,4-dimethylpent-1-en-3-one (CID 20663748) is 5-methoxy-2,4-dimethylpent-1-en-3-one.
What is the SMILES notation for 5-methoxy-2,4-dimethylpent-1-en-3-one?
The canonical SMILES for 5-methoxy-2,4-dimethylpent-1-en-3-one is C=C(C)C(=O)C(C)COC.
What is the InChIKey of 5-methoxy-2,4-dimethylpent-1-en-3-one?
The InChIKey is HSALKNLZCIOCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)8(9)7(3)5-10-4/h7H,1,5H2,2-4H3.
What are the key properties of 5-methoxy-2,4-dimethylpent-1-en-3-one?
5-methoxy-2,4-dimethylpent-1-en-3-one has a molecular weight of 142.20 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,4-dimethylpent-1-en-3-one is sourced from PubChem (CID 20663748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).