1-(oxolan-3-yl)-2-pent-4-enoxyethanone

C11H18O3 — CID 104752144

IUPAC1-(oxolan-3-yl)-2-pent-4-enoxyethanone
SMILESC=CCCCOCC(=O)C1CCOC1
InChIInChI=1S/C11H18O3/c1-2-3-4-6-13-9-11(12)10-5-7-14-8-10/h2,10H,1,3-9H2
InChIKeyBCEVKYXSVLVGRK-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.57
Rot. Bonds7

About 1-(oxolan-3-yl)-2-pent-4-enoxyethanone

1-(oxolan-3-yl)-2-pent-4-enoxyethanone (PubChem CID 104752144) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-pent-4-enoxyethanone.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-pent-4-enoxyethanone
PubChem CID104752144
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-(oxolan-3-yl)-2-pent-4-enoxyethanone
SMILESC=CCCCOCC(=O)C1CCOC1
InChIInChI=1S/C11H18O3/c1-2-3-4-6-13-9-11(12)10-5-7-14-8-10/h2,10H,1,3-9H2
InChIKeyBCEVKYXSVLVGRK-UHFFFAOYSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Prop-2-en-1-yl)oxolan-3-one
CID 118008232
2-Ethoxy-1-(oxolan-3-yl)prop-2-en-1-one
CID 162741158
1-(Oxolan-3-yl)-2-prop-2-enoxyethanone
CID 104751923
2-[(6-Methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone
CID 104751926
2-But-3-enoxy-1-(oxolan-3-yl)ethanone
CID 104751966
2-(3-Methylbut-3-enoxy)-1-(oxolan-3-yl)ethanone
CID 114470291
(4R)-4-prop-2-enyloxolan-3-one
CID 124703279
(4S)-4-prop-2-enyloxolan-3-one
CID 124703407

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-pent-4-enoxyethanone?
The IUPAC name of 1-(oxolan-3-yl)-2-pent-4-enoxyethanone (CID 104752144) is 1-(oxolan-3-yl)-2-pent-4-enoxyethanone.
What is the SMILES notation for 1-(oxolan-3-yl)-2-pent-4-enoxyethanone?
The canonical SMILES for 1-(oxolan-3-yl)-2-pent-4-enoxyethanone is C=CCCCOCC(=O)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-pent-4-enoxyethanone?
The InChIKey is BCEVKYXSVLVGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-3-4-6-13-9-11(12)10-5-7-14-8-10/h2,10H,1,3-9H2.
What are the key properties of 1-(oxolan-3-yl)-2-pent-4-enoxyethanone?
1-(oxolan-3-yl)-2-pent-4-enoxyethanone has a molecular weight of 198.26 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-pent-4-enoxyethanone is sourced from PubChem (CID 104752144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).