5-propan-2-yloxypent-1-en-3-one

C8H14O2 — CID 57244368

IUPAC5-propan-2-yloxypent-1-en-3-one
SMILESC=CC(=O)CCOC(C)C
InChIInChI=1S/C8H14O2/c1-4-8(9)5-6-10-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyOLWXUNRGJOQQLI-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.56
Rot. Bonds5

About 5-propan-2-yloxypent-1-en-3-one

5-propan-2-yloxypent-1-en-3-one (PubChem CID 57244368) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-propan-2-yloxypent-1-en-3-one.

Molecular Properties

Compound Name5-propan-2-yloxypent-1-en-3-one
PubChem CID57244368
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-propan-2-yloxypent-1-en-3-one
SMILESC=CC(=O)CCOC(C)C
InChIInChI=1S/C8H14O2/c1-4-8(9)5-6-10-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyOLWXUNRGJOQQLI-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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

5-Methoxypent-1-en-3-one
CID 19814558
5-Ethoxy-4,4-difluoropent-1-en-3-one
CID 87417348
Butyl 3-oxopent-4-enoate
CID 21449650
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-(3-Oxopent-4-enoxy)pent-1-en-3-one
CID 57263299
5-Methoxy-4-methylpent-1-en-3-one
CID 87955044
5-Ethoxypent-1-en-3-one
CID 87978915
5-(2-Methoxyethoxy)pent-1-en-3-one
CID 102927307
5-(Oxetan-3-yloxy)pent-1-en-3-one
CID 118482960

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxypent-1-en-3-one?
The IUPAC name of 5-propan-2-yloxypent-1-en-3-one (CID 57244368) is 5-propan-2-yloxypent-1-en-3-one.
What is the SMILES notation for 5-propan-2-yloxypent-1-en-3-one?
The canonical SMILES for 5-propan-2-yloxypent-1-en-3-one is C=CC(=O)CCOC(C)C.
What is the InChIKey of 5-propan-2-yloxypent-1-en-3-one?
The InChIKey is OLWXUNRGJOQQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-8(9)5-6-10-7(2)3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 5-propan-2-yloxypent-1-en-3-one?
5-propan-2-yloxypent-1-en-3-one has a molecular weight of 142.20 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxypent-1-en-3-one is sourced from PubChem (CID 57244368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).