5-(2-methoxyethoxy)pent-1-en-3-one

C8H14O3 — CID 102927307

IUPAC5-(2-methoxyethoxy)pent-1-en-3-one
SMILESC=CC(=O)CCOCCOC
InChIInChI=1S/C8H14O3/c1-3-8(9)4-5-11-7-6-10-2/h3H,1,4-7H2,2H3
InChIKeyIVLDSOLLTDMVOQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.79
Rot. Bonds7

About 5-(2-methoxyethoxy)pent-1-en-3-one

5-(2-methoxyethoxy)pent-1-en-3-one (PubChem CID 102927307) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)pent-1-en-3-one.

Molecular Properties

Compound Name5-(2-methoxyethoxy)pent-1-en-3-one
PubChem CID102927307
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name5-(2-methoxyethoxy)pent-1-en-3-one
SMILESC=CC(=O)CCOCCOC
InChIInChI=1S/C8H14O3/c1-3-8(9)4-5-11-7-6-10-2/h3H,1,4-7H2,2H3
InChIKeyIVLDSOLLTDMVOQ-UHFFFAOYSA-N
XLogP0.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.79
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'}

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Related Compounds

5-Methoxypent-1-en-3-one
CID 19814558
5-[2,3-Bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one
CID 20793325
5-Propoxypent-1-en-3-one
CID 22964566
5-[2-[2-(3-Oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one
CID 23458972
5-Butoxypent-1-en-3-one
CID 23534053
3-Oxopent-4-enyl acetate
CID 54565921
5-Propan-2-yloxypent-1-en-3-one
CID 57244368
5-(3-Oxopent-4-enoxy)pent-1-en-3-one
CID 57263299
5-(2-Hydroxyethoxy)pent-1-en-3-one
CID 87753388
5-Ethoxypent-1-en-3-one
CID 87978915
5-(2-Ethyloxetan-3-yl)oxypent-1-en-3-one
CID 118482926
5-(Oxetan-3-yloxy)pent-1-en-3-one
CID 118482960

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)pent-1-en-3-one?
The IUPAC name of 5-(2-methoxyethoxy)pent-1-en-3-one (CID 102927307) is 5-(2-methoxyethoxy)pent-1-en-3-one.
What is the SMILES notation for 5-(2-methoxyethoxy)pent-1-en-3-one?
The canonical SMILES for 5-(2-methoxyethoxy)pent-1-en-3-one is C=CC(=O)CCOCCOC.
What is the InChIKey of 5-(2-methoxyethoxy)pent-1-en-3-one?
The InChIKey is IVLDSOLLTDMVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-8(9)4-5-11-7-6-10-2/h3H,1,4-7H2,2H3.
What are the key properties of 5-(2-methoxyethoxy)pent-1-en-3-one?
5-(2-methoxyethoxy)pent-1-en-3-one has a molecular weight of 158.20 g/mol, XLogP of 0.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)pent-1-en-3-one is sourced from PubChem (CID 102927307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).