2-methyl-6-propan-2-yloxyhex-1-en-3-one

C10H18O2 — CID 58298905

IUPAC2-methyl-6-propan-2-yloxyhex-1-en-3-one
SMILESC=C(C)C(=O)CCCOC(C)C
InChIInChI=1S/C10H18O2/c1-8(2)10(11)6-5-7-12-9(3)4/h9H,1,5-7H2,2-4H3
InChIKeyRAIQAIINPACGJF-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.34
Rot. Bonds6

About 2-methyl-6-propan-2-yloxyhex-1-en-3-one

2-methyl-6-propan-2-yloxyhex-1-en-3-one (PubChem CID 58298905) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yloxyhex-1-en-3-one.

Molecular Properties

Compound Name2-methyl-6-propan-2-yloxyhex-1-en-3-one
PubChem CID58298905
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methyl-6-propan-2-yloxyhex-1-en-3-one
SMILESC=C(C)C(=O)CCCOC(C)C
InChIInChI=1S/C10H18O2/c1-8(2)10(11)6-5-7-12-9(3)4/h9H,1,5-7H2,2-4H3
InChIKeyRAIQAIINPACGJF-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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

5-Methoxy-2-methylhex-1-en-3-one
CID 12576430
Trimethyl (5-methyl-4-oxohex-5-enyl) silicate
CID 14367926
5-Ethoxy-2-methylhex-1-en-3-one
CID 14450735
3-Methyl-1-(oxiran-2-yl)but-3-en-2-one
CID 17880287
2-Methyl-6-[(5-methyloxolan-2-yl)methoxy]hex-1-en-3-one
CID 20684927
6-Methoxy-2-methylhept-1-en-3-one
CID 21337066
6-Ethoxy-2,4-dimethylhex-1-en-3-one
CID 22992628
(5-Methyl-4-oxohex-5-enyl) 2-methylprop-2-enoate
CID 23390665
1,7-Dimethoxy-3,5-dimethylideneheptan-4-one
CID 54115998
(5-Methyl-4-oxohex-5-enyl) 2,2-dimethylbutanoate
CID 58175807
(5-Methyl-4-oxohex-5-enyl) 2-methylpropanoate
CID 58298921
2-Methyl-8-propan-2-yloxyoct-1-en-3-one
CID 58298931

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yloxyhex-1-en-3-one?
The IUPAC name of 2-methyl-6-propan-2-yloxyhex-1-en-3-one (CID 58298905) is 2-methyl-6-propan-2-yloxyhex-1-en-3-one.
What is the SMILES notation for 2-methyl-6-propan-2-yloxyhex-1-en-3-one?
The canonical SMILES for 2-methyl-6-propan-2-yloxyhex-1-en-3-one is C=C(C)C(=O)CCCOC(C)C.
What is the InChIKey of 2-methyl-6-propan-2-yloxyhex-1-en-3-one?
The InChIKey is RAIQAIINPACGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)10(11)6-5-7-12-9(3)4/h9H,1,5-7H2,2-4H3.
What are the key properties of 2-methyl-6-propan-2-yloxyhex-1-en-3-one?
2-methyl-6-propan-2-yloxyhex-1-en-3-one has a molecular weight of 170.25 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yloxyhex-1-en-3-one is sourced from PubChem (CID 58298905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).