2-ethoxy-2-methyl-5-methylideneheptan-3-one

C11H20O2 — CID 116710259

IUPAC2-ethoxy-2-methyl-5-methylideneheptan-3-one
SMILESC=C(CC)CC(=O)C(C)(C)OCC
InChIInChI=1S/C11H20O2/c1-6-9(3)8-10(12)11(4,5)13-7-2/h3,6-8H2,1-2,4-5H3
InChIKeyAOGGRISTOFHULP-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.73
Rot. Bonds6

About 2-ethoxy-2-methyl-5-methylideneheptan-3-one

2-ethoxy-2-methyl-5-methylideneheptan-3-one (PubChem CID 116710259) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-5-methylideneheptan-3-one.

Molecular Properties

Compound Name2-ethoxy-2-methyl-5-methylideneheptan-3-one
PubChem CID116710259
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-ethoxy-2-methyl-5-methylideneheptan-3-one
SMILESC=C(CC)CC(=O)C(C)(C)OCC
InChIInChI=1S/C11H20O2/c1-6-9(3)8-10(12)11(4,5)13-7-2/h3,6-8H2,1-2,4-5H3
InChIKeyAOGGRISTOFHULP-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one
CID 116573788
1,1-diethoxy-4-methylidenehexan-2-one
CID 79495159
1,3-diethoxy-3-methylbutan-2-one
CID 116710340
4-ethoxy-2,4-dimethylpent-1-en-3-one
CID 116710261
2-ethoxy-5-methylideneheptan-3-one
CID 66046478
2,2-diethoxypentan-3-one
CID 163406008
1,1-dimethoxy-4-methylidenehexan-2-one
CID 79492297
2-methyl-5-methylidene-2-phenylheptan-3-one
CID 66044807
7-amino-2-ethoxy-2-methylheptan-3-one
CID 146555054
2-ethoxy-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 146490139
1-(tert-butylamino)-4-methylidenehexan-2-one
CID 116589016
sodium 3-methylidenepentanoate
CID 175560303

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-5-methylideneheptan-3-one?
The IUPAC name of 2-ethoxy-2-methyl-5-methylideneheptan-3-one (CID 116710259) is 2-ethoxy-2-methyl-5-methylideneheptan-3-one.
What is the SMILES notation for 2-ethoxy-2-methyl-5-methylideneheptan-3-one?
The canonical SMILES for 2-ethoxy-2-methyl-5-methylideneheptan-3-one is C=C(CC)CC(=O)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-2-methyl-5-methylideneheptan-3-one?
The InChIKey is AOGGRISTOFHULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-9(3)8-10(12)11(4,5)13-7-2/h3,6-8H2,1-2,4-5H3.
What are the key properties of 2-ethoxy-2-methyl-5-methylideneheptan-3-one?
2-ethoxy-2-methyl-5-methylideneheptan-3-one has a molecular weight of 184.28 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-5-methylideneheptan-3-one is sourced from PubChem (CID 116710259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).