6-(2-methoxyethoxy)-5-methylhex-1-en-3-one

C10H18O3 — CID 158126506

IUPAC6-(2-methoxyethoxy)-5-methylhex-1-en-3-one
SMILESC=CC(=O)CC(C)COCCOC
InChIInChI=1S/C10H18O3/c1-4-10(11)7-9(2)8-13-6-5-12-3/h4,9H,1,5-8H2,2-3H3
InChIKeyVYXPQGAVINGDSU-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.43
Rot. Bonds8

About 6-(2-methoxyethoxy)-5-methylhex-1-en-3-one

6-(2-methoxyethoxy)-5-methylhex-1-en-3-one (PubChem CID 158126506) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-5-methylhex-1-en-3-one.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-5-methylhex-1-en-3-one
PubChem CID158126506
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name6-(2-methoxyethoxy)-5-methylhex-1-en-3-one
SMILESC=CC(=O)CC(C)COCCOC
InChIInChI=1S/C10H18O3/c1-4-10(11)7-9(2)8-13-6-5-12-3/h4,9H,1,5-8H2,2-3H3
InChIKeyVYXPQGAVINGDSU-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2-methoxyethoxy)-5-methylhex-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methylpropoxy)pent-1-en-3-one
CID 161282003
(5R)-5-methylnona-1,8-dien-3-one
CID 10582957
(2S,3S)-2-(2-methoxyethoxymethyl)-3-methylhex-5-enoic acid
CID 146545133
1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane
CID 104561148
5-aminohex-1-en-3-one
CID 116555878
1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane
CID 129036094
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502
2-(2-methoxyethoxymethyl)hex-5-enoic acid
CID 146545339
1-(2-methoxyethoxy)butane-2,3-diol
CID 87403280
5-hydroxy-6-methylhept-1-en-3-one
CID 10606842
4-methoxy-3-methylbutanoate
CID 22362636
2-(2-aminopropoxy)ethyl prop-2-enoate
CID 54040503

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-5-methylhex-1-en-3-one?
The IUPAC name of 6-(2-methoxyethoxy)-5-methylhex-1-en-3-one (CID 158126506) is 6-(2-methoxyethoxy)-5-methylhex-1-en-3-one.
What is the SMILES notation for 6-(2-methoxyethoxy)-5-methylhex-1-en-3-one?
The canonical SMILES for 6-(2-methoxyethoxy)-5-methylhex-1-en-3-one is C=CC(=O)CC(C)COCCOC.
What is the InChIKey of 6-(2-methoxyethoxy)-5-methylhex-1-en-3-one?
The InChIKey is VYXPQGAVINGDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-10(11)7-9(2)8-13-6-5-12-3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 6-(2-methoxyethoxy)-5-methylhex-1-en-3-one?
6-(2-methoxyethoxy)-5-methylhex-1-en-3-one has a molecular weight of 186.25 g/mol, XLogP of 1.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-5-methylhex-1-en-3-one is sourced from PubChem (CID 158126506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).