6-methoxy-4-methylhex-1-en-3-one

C8H14O2 — CID 103453681

IUPAC6-methoxy-4-methylhex-1-en-3-one
SMILESC=CC(=O)C(C)CCOC
InChIInChI=1S/C8H14O2/c1-4-8(9)7(2)5-6-10-3/h4,7H,1,5-6H2,2-3H3
InChIKeyUWJHBOXECJTOII-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.41
Rot. Bonds5

About 6-methoxy-4-methylhex-1-en-3-one

6-methoxy-4-methylhex-1-en-3-one (PubChem CID 103453681) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 6-methoxy-4-methylhex-1-en-3-one.

Molecular Properties

Compound Name6-methoxy-4-methylhex-1-en-3-one
PubChem CID103453681
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name6-methoxy-4-methylhex-1-en-3-one
SMILESC=CC(=O)C(C)CCOC
InChIInChI=1S/C8H14O2/c1-4-8(9)7(2)5-6-10-3/h4,7H,1,5-6H2,2-3H3
InChIKeyUWJHBOXECJTOII-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

6-Ethoxyhex-1-en-3-one
CID 20675034
4-(Ethoxymethyl)hex-1-en-3-one
CID 22992607
6-Propoxyhex-1-en-3-one
CID 57272050
3-(2-Methoxyethyl)hex-5-en-2-one
CID 57553602
(2-Methyl-4-oxohex-5-enyl) formate
CID 58206478
6-Methoxyhex-1-en-3-one
CID 59702772
1-(Oxan-4-yl)prop-2-en-1-one
CID 65574833
6-Hydroxy-4-methylhex-1-en-3-one
CID 118422034
1-(Oxetan-3-yl)but-3-en-2-one
CID 139972749
2,4-dimethyl-3,4-dihydro-2H-oxepin-5-one
CID 144788802
6-(2-Methoxyethoxy)-5-methylhex-1-en-3-one
CID 158126506
6-Ethenoxyhex-1-en-3-one
CID 158727116

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methylhex-1-en-3-one?
The IUPAC name of 6-methoxy-4-methylhex-1-en-3-one (CID 103453681) is 6-methoxy-4-methylhex-1-en-3-one.
What is the SMILES notation for 6-methoxy-4-methylhex-1-en-3-one?
The canonical SMILES for 6-methoxy-4-methylhex-1-en-3-one is C=CC(=O)C(C)CCOC.
What is the InChIKey of 6-methoxy-4-methylhex-1-en-3-one?
The InChIKey is UWJHBOXECJTOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-8(9)7(2)5-6-10-3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 6-methoxy-4-methylhex-1-en-3-one?
6-methoxy-4-methylhex-1-en-3-one has a molecular weight of 142.20 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methylhex-1-en-3-one is sourced from PubChem (CID 103453681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).