7-methoxy-2,6-dimethylhept-1-en-4-one

C10H18O2 — CID 105112647

IUPAC7-methoxy-2,6-dimethylhept-1-en-4-one
SMILESC=C(C)CC(=O)CC(C)COC
InChIInChI=1S/C10H18O2/c1-8(2)5-10(11)6-9(3)7-12-4/h9H,1,5-7H2,2-4H3
InChIKeyOOWDTZWBLILACZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.19
Rot. Bonds6

About 7-methoxy-2,6-dimethylhept-1-en-4-one

7-methoxy-2,6-dimethylhept-1-en-4-one (PubChem CID 105112647) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 7-methoxy-2,6-dimethylhept-1-en-4-one.

Molecular Properties

Compound Name7-methoxy-2,6-dimethylhept-1-en-4-one
PubChem CID105112647
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name7-methoxy-2,6-dimethylhept-1-en-4-one
SMILESC=C(C)CC(=O)CC(C)COC
InChIInChI=1S/C10H18O2/c1-8(2)5-10(11)6-9(3)7-12-4/h9H,1,5-7H2,2-4H3
InChIKeyOOWDTZWBLILACZ-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Ethoxy-2,4-dimethylhex-1-en-3-one
CID 22992628
1,7-Dimethoxy-3,5-dimethylideneheptan-4-one
CID 54115998
2-Methyl-7-propan-2-yloxyoct-7-en-4-one
CID 88966376
7-Ethoxy-2-methylhept-1-en-4-one
CID 105112587
7-Ethoxy-7-methyl-3-methylideneoctan-4-one
CID 123429345
3-Methylidene-1-(oxan-4-yl)pentan-1-one
CID 66043838
1-Methoxy-6-methylideneoctan-4-one
CID 66046945
3-Methyl-1-(oxan-4-yl)but-3-en-1-one
CID 79177143
7-Methoxy-2-methylhept-1-en-4-one
CID 79179339
6-Methoxy-2,6-dimethylhept-1-en-4-one
CID 103023336
6-Methoxy-2,6-dimethylhept-1-en-3-one
CID 103446342
6-Methoxy-2,4-dimethylhex-1-en-3-one
CID 103446487

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,6-dimethylhept-1-en-4-one?
The IUPAC name of 7-methoxy-2,6-dimethylhept-1-en-4-one (CID 105112647) is 7-methoxy-2,6-dimethylhept-1-en-4-one.
What is the SMILES notation for 7-methoxy-2,6-dimethylhept-1-en-4-one?
The canonical SMILES for 7-methoxy-2,6-dimethylhept-1-en-4-one is C=C(C)CC(=O)CC(C)COC.
What is the InChIKey of 7-methoxy-2,6-dimethylhept-1-en-4-one?
The InChIKey is OOWDTZWBLILACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)5-10(11)6-9(3)7-12-4/h9H,1,5-7H2,2-4H3.
What are the key properties of 7-methoxy-2,6-dimethylhept-1-en-4-one?
7-methoxy-2,6-dimethylhept-1-en-4-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 7-methoxy-2,6-dimethylhept-1-en-4-one is sourced from PubChem (CID 105112647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).