6-ethoxy-2,4-dimethylhex-1-en-3-one

C10H18O2 — CID 22992628

IUPAC6-ethoxy-2,4-dimethylhex-1-en-3-one
SMILESC=C(C)C(=O)C(C)CCOCC
InChIInChI=1S/C10H18O2/c1-5-12-7-6-9(4)10(11)8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeyZEAHEJLEDHOOKJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.19
Rot. Bonds6

About 6-ethoxy-2,4-dimethylhex-1-en-3-one

6-ethoxy-2,4-dimethylhex-1-en-3-one (PubChem CID 22992628) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6-ethoxy-2,4-dimethylhex-1-en-3-one.

Molecular Properties

Compound Name6-ethoxy-2,4-dimethylhex-1-en-3-one
PubChem CID22992628
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name6-ethoxy-2,4-dimethylhex-1-en-3-one
SMILESC=C(C)C(=O)C(C)CCOCC
InChIInChI=1S/C10H18O2/c1-5-12-7-6-9(4)10(11)8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeyZEAHEJLEDHOOKJ-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Isopropenyl-5-methyl-4-oxo-hex-5-enyl acetate
CID 6429154
2-Methyl-5-(2-methylhexoxy)pent-1-en-3-one
CID 20697913
5-Methoxy-2,4-dimethylhex-1-en-3-one
CID 23565616
2-Methyl-6-propan-2-yloxyhex-1-en-3-one
CID 58298905
(5-Methyl-4-oxohex-5-enyl) 2-methylpropanoate
CID 58298921
6-Ethoxy-4-methylhept-6-en-2-one
CID 58379225
3-Methyl-1-(oxetan-3-yl)but-3-ene-1,2-dione
CID 70498578
2-Methyl-1-(oxolan-3-yl)prop-2-en-1-one
CID 79190486
2-Methyl-1-(oxan-4-yl)prop-2-en-1-one
CID 79190488
6-Methoxy-2-methylhex-1-en-3-one
CID 79191134
2-Methyl-6-(5-methyl-4-oxohex-5-enoxy)hex-1-en-3-one
CID 88591198
4-Ethyl-2-methyl-4-(3-methylpentoxy)hex-1-en-3-one
CID 88870341

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,4-dimethylhex-1-en-3-one?
The IUPAC name of 6-ethoxy-2,4-dimethylhex-1-en-3-one (CID 22992628) is 6-ethoxy-2,4-dimethylhex-1-en-3-one.
What is the SMILES notation for 6-ethoxy-2,4-dimethylhex-1-en-3-one?
The canonical SMILES for 6-ethoxy-2,4-dimethylhex-1-en-3-one is C=C(C)C(=O)C(C)CCOCC.
What is the InChIKey of 6-ethoxy-2,4-dimethylhex-1-en-3-one?
The InChIKey is ZEAHEJLEDHOOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-12-7-6-9(4)10(11)8(2)3/h9H,2,5-7H2,1,3-4H3.
What are the key properties of 6-ethoxy-2,4-dimethylhex-1-en-3-one?
6-ethoxy-2,4-dimethylhex-1-en-3-one has a molecular weight of 170.25 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,4-dimethylhex-1-en-3-one is sourced from PubChem (CID 22992628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).