3-pent-3-en-2-yloxybutan-2-one

C9H16O2 — CID 90741948

IUPAC3-pent-3-en-2-yloxybutan-2-one
SMILESCC=CC(C)OC(C)C(C)=O
InChIInChI=1S/C9H16O2/c1-5-6-7(2)11-9(4)8(3)10/h5-7,9H,1-4H3
InChIKeyACZJBDPTXDAVLF-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.95
Rot. Bonds4

About 3-pent-3-en-2-yloxybutan-2-one

3-pent-3-en-2-yloxybutan-2-one (PubChem CID 90741948) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-pent-3-en-2-yloxybutan-2-one.

Molecular Properties

Compound Name3-pent-3-en-2-yloxybutan-2-one
PubChem CID90741948
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-pent-3-en-2-yloxybutan-2-one
SMILESCC=CC(C)OC(C)C(C)=O
InChIInChI=1S/C9H16O2/c1-5-6-7(2)11-9(4)8(3)10/h5-7,9H,1-4H3
InChIKeyACZJBDPTXDAVLF-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-hex-2-enoxy]butan-2-one
CID 15256146
(2S,6R)-6-methyl-2-prop-2-enyl-2H-pyran-5-one
CID 72707769
propan-2-yl 2-[(E)-pent-3-en-2-yl]oxyacetate
CID 13673779
propan-2-yl 2-[(E,2S)-pent-3-en-2-yl]oxyacetate
CID 13673780
[(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate
CID 15261944
[(E,2S)-oct-3-en-2-yl] 2-oxopropanoate
CID 23649584
(z)-3-Hexenal acetate
CID 129776538
1-[(E)-3-methylhex-2-enoxy]butan-2-one
CID 134896029
3-[(E)-but-2-enoxy]butan-2-one
CID 62277876
2-acetyl-6-methyl-2H-pyran-5-one
CID 20544782
1-(3,6-dihydro-2H-pyran-2-yl)ethanone
CID 20692457
2-Methoxycyclopent-3-en-1-one
CID 22676885

Frequently Asked Questions

What is the IUPAC name of 3-pent-3-en-2-yloxybutan-2-one?
The IUPAC name of 3-pent-3-en-2-yloxybutan-2-one (CID 90741948) is 3-pent-3-en-2-yloxybutan-2-one.
What is the SMILES notation for 3-pent-3-en-2-yloxybutan-2-one?
The canonical SMILES for 3-pent-3-en-2-yloxybutan-2-one is CC=CC(C)OC(C)C(C)=O.
What is the InChIKey of 3-pent-3-en-2-yloxybutan-2-one?
The InChIKey is ACZJBDPTXDAVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-6-7(2)11-9(4)8(3)10/h5-7,9H,1-4H3.
What are the key properties of 3-pent-3-en-2-yloxybutan-2-one?
3-pent-3-en-2-yloxybutan-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-3-en-2-yloxybutan-2-one is sourced from PubChem (CID 90741948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).