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

C9H16O3 — CID 102927258

IUPAC5-(2-methoxyethoxy)-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CCOCCOC
InChIInChI=1S/C9H16O3/c1-8(2)9(10)4-5-12-7-6-11-3/h1,4-7H2,2-3H3
InChIKeyCNDPZISCZUEYOP-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.18
Rot. Bonds7

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

5-(2-methoxyethoxy)-2-methylpent-1-en-3-one (PubChem CID 102927258) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-2-methylpent-1-en-3-one.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-2-methylpent-1-en-3-one
PubChem CID102927258
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name5-(2-methoxyethoxy)-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CCOCCOC
InChIInChI=1S/C9H16O3/c1-8(2)9(10)4-5-12-7-6-11-3/h1,4-7H2,2-3H3
InChIKeyCNDPZISCZUEYOP-UHFFFAOYSA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.18
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-Ethoxy-2-methylhex-1-en-3-one
CID 14450735
5-Methoxy-2-methylpent-1-en-3-one
CID 14907390
2-Methyl-5-(2-methylhexoxy)pent-1-en-3-one
CID 20697913
5-[2-[2,3-Bis[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]propoxy]ethoxy]-2-methylpent-1-en-3-one
CID 21349203
2-[2-(4-Methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 58283064
2-Methyl-5-propan-2-yloxypent-1-en-3-one
CID 58330229
CID 58422049
CID 58422049
5-[2,3-Bis(4-methyl-3-oxopent-4-enoxy)propoxy]-2-methylpent-1-en-3-one
CID 59972182
5-Ethenoxy-2-methylpent-1-en-3-one
CID 87129853
5-Ethoxy-2-methylpent-1-en-3-one
CID 87978048
2-Methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
CID 90191283
2-Methyl-5-(3-oxobutoxy)pent-1-en-3-one
CID 90191285

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-2-methylpent-1-en-3-one?
The IUPAC name of 5-(2-methoxyethoxy)-2-methylpent-1-en-3-one (CID 102927258) is 5-(2-methoxyethoxy)-2-methylpent-1-en-3-one.
What is the SMILES notation for 5-(2-methoxyethoxy)-2-methylpent-1-en-3-one?
The canonical SMILES for 5-(2-methoxyethoxy)-2-methylpent-1-en-3-one is C=C(C)C(=O)CCOCCOC.
What is the InChIKey of 5-(2-methoxyethoxy)-2-methylpent-1-en-3-one?
The InChIKey is CNDPZISCZUEYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(2)9(10)4-5-12-7-6-11-3/h1,4-7H2,2-3H3.
What are the key properties of 5-(2-methoxyethoxy)-2-methylpent-1-en-3-one?
5-(2-methoxyethoxy)-2-methylpent-1-en-3-one has a molecular weight of 172.22 g/mol, XLogP of 1.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-2-methylpent-1-en-3-one is sourced from PubChem (CID 102927258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).