5-(oxan-4-yl)pent-3-en-2-one

C10H16O2 — CID 139637066

IUPAC5-(oxan-4-yl)pent-3-en-2-one
SMILESCC(=O)C=CCC1CCOCC1
InChIInChI=1S/C10H16O2/c1-9(11)3-2-4-10-5-7-12-8-6-10/h2-3,10H,4-8H2,1H3
InChIKeyMQOIWYIKSOFBBI-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds3

About 5-(oxan-4-yl)pent-3-en-2-one

5-(oxan-4-yl)pent-3-en-2-one (PubChem CID 139637066) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(oxan-4-yl)pent-3-en-2-one.

Molecular Properties

Compound Name5-(oxan-4-yl)pent-3-en-2-one
PubChem CID139637066
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-(oxan-4-yl)pent-3-en-2-one
SMILESCC(=O)C=CCC1CCOCC1
InChIInChI=1S/C10H16O2/c1-9(11)3-2-4-10-5-7-12-8-6-10/h2-3,10H,4-8H2,1H3
InChIKeyMQOIWYIKSOFBBI-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
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

4-(Oxan-3-yl)but-3-en-2-one
CID 21718600
4-(Oxan-4-yl)but-3-en-2-one
CID 10197790
(E)-3-(oxan-4-yl)prop-2-enal
CID 19755610
1-(Oxan-4-yl)oct-1-en-3-one
CID 56992056
1-(Oxan-4-yl)pent-1-en-3-one
CID 56996528
1-(Oxan-4-yl)dec-1-en-3-one
CID 57012759
1-(Oxan-4-yl)non-1-en-3-one
CID 57065591
1-(Oxan-4-yl)hex-1-en-3-one
CID 57133818
1-(4-Tetrahydropyranyl)but-1-en-3-one
CID 57137183
CID 57241584
CID 57241584
3-(Oxan-4-yl)prop-2-enal
CID 57259553
1-(Oxan-4-yl)hept-1-en-3-one
CID 57278036

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)pent-3-en-2-one?
The IUPAC name of 5-(oxan-4-yl)pent-3-en-2-one (CID 139637066) is 5-(oxan-4-yl)pent-3-en-2-one.
What is the SMILES notation for 5-(oxan-4-yl)pent-3-en-2-one?
The canonical SMILES for 5-(oxan-4-yl)pent-3-en-2-one is CC(=O)C=CCC1CCOCC1.
What is the InChIKey of 5-(oxan-4-yl)pent-3-en-2-one?
The InChIKey is MQOIWYIKSOFBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(11)3-2-4-10-5-7-12-8-6-10/h2-3,10H,4-8H2,1H3.
What are the key properties of 5-(oxan-4-yl)pent-3-en-2-one?
5-(oxan-4-yl)pent-3-en-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)pent-3-en-2-one is sourced from PubChem (CID 139637066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).