5-propoxypent-1-en-3-one

C8H14O2 — CID 22964566

IUPAC5-propoxypent-1-en-3-one
SMILESC=CC(=O)CCOCCC
InChIInChI=1S/C8H14O2/c1-3-6-10-7-5-8(9)4-2/h4H,2-3,5-7H2,1H3
InChIKeyLVQRBNNTWLUHNQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.56
Rot. Bonds6

About 5-propoxypent-1-en-3-one

5-propoxypent-1-en-3-one (PubChem CID 22964566) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-propoxypent-1-en-3-one.

Molecular Properties

Compound Name5-propoxypent-1-en-3-one
PubChem CID22964566
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-propoxypent-1-en-3-one
SMILESC=CC(=O)CCOCCC
InChIInChI=1S/C8H14O2/c1-3-6-10-7-5-8(9)4-2/h4H,2-3,5-7H2,1H3
InChIKeyLVQRBNNTWLUHNQ-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 3-oxopent-4-enoate
CID 12536080
5-Methoxypent-1-en-3-one
CID 19814558
6-Ethoxyhex-1-en-3-one
CID 20675034
5-Ethoxy-4,4-difluoropent-1-en-3-one
CID 87417348
5-(2,2,3,3,4,4,4-Heptafluorobutoxy)pent-1-en-3-one
CID 157414129
5-(2,2,2-Trifluoroethoxy)pent-1-en-3-one
CID 103146948
5-(2,2-Difluoroethoxy)pent-1-en-3-one
CID 103147273
Butyl 3-oxopent-4-enoate
CID 21449650
5-[2-[2-(3-Oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one
CID 23458972
5-Butoxypent-1-en-3-one
CID 23534053
5-(3-Oxo-2-sulfanylidenepent-4-enoxy)-4-sulfanylidenepent-1-en-3-one
CID 54452975
3-Oxopent-4-enyl acetate
CID 54565921

Frequently Asked Questions

What is the IUPAC name of 5-propoxypent-1-en-3-one?
The IUPAC name of 5-propoxypent-1-en-3-one (CID 22964566) is 5-propoxypent-1-en-3-one.
What is the SMILES notation for 5-propoxypent-1-en-3-one?
The canonical SMILES for 5-propoxypent-1-en-3-one is C=CC(=O)CCOCCC.
What is the InChIKey of 5-propoxypent-1-en-3-one?
The InChIKey is LVQRBNNTWLUHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-6-10-7-5-8(9)4-2/h4H,2-3,5-7H2,1H3.
What are the key properties of 5-propoxypent-1-en-3-one?
5-propoxypent-1-en-3-one has a molecular weight of 142.20 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxypent-1-en-3-one is sourced from PubChem (CID 22964566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).