(4R)-4-ethenyloxan-2-one

C7H10O2 — CID 101412797

IUPAC(4R)-4-ethenyloxan-2-one
SMILESC=C[C@@H]1CCOC(=O)C1
InChIInChI=1S/C7H10O2/c1-2-6-3-4-9-7(8)5-6/h2,6H,1,3-5H2/t6-/m1/s1
InChIKeyDPTJFTFDPACGGJ-ZCFIWIBFSA-N
MW126.16 g/mol
LogP1.13
Rot. Bonds1

About (4R)-4-ethenyloxan-2-one

(4R)-4-ethenyloxan-2-one (PubChem CID 101412797) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is (4R)-4-ethenyloxan-2-one.

Molecular Properties

Compound Name(4R)-4-ethenyloxan-2-one
PubChem CID101412797
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name(4R)-4-ethenyloxan-2-one
SMILESC=C[C@@H]1CCOC(=O)C1
InChIInChI=1S/C7H10O2/c1-2-6-3-4-9-7(8)5-6/h2,6H,1,3-5H2/t6-/m1/s1
InChIKeyDPTJFTFDPACGGJ-ZCFIWIBFSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.13
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

5-Hexenoic acid, 3-methyl-, ethyl ester
CID 10866583
tetrahydro-3-(2-propenyl)-2H-pyran-2-one
CID 11263532
4-Vinyl-4-hydroxypentalactone
CID 356813
2H-Pyran-2-one, 4-ethenyltetrahydro-
CID 543133
4-Prop-2-enyloxan-2-one
CID 10558704
4-Prop-2-enyloxane-2,6-dione
CID 71479718
(3R,4S)-4-methyl-3-prop-2-enyloxan-2-one
CID 134944462
(4R)-4-prop-2-enyl-3,4-dihydropyran-2-one
CID 134966099
(4S,5R)-4,5-bis(prop-2-enyl)oxan-2-one
CID 164666540
Cizxosxskwwjgm-uhfffaoysa-
CID 12164294
3-But-3-enyloxan-2-one
CID 10441899
5-Prop-2-enyloxan-2-one
CID 10654298

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethenyloxan-2-one?
The IUPAC name of (4R)-4-ethenyloxan-2-one (CID 101412797) is (4R)-4-ethenyloxan-2-one.
What is the SMILES notation for (4R)-4-ethenyloxan-2-one?
The canonical SMILES for (4R)-4-ethenyloxan-2-one is C=C[C@@H]1CCOC(=O)C1.
What is the InChIKey of (4R)-4-ethenyloxan-2-one?
The InChIKey is DPTJFTFDPACGGJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-6-3-4-9-7(8)5-6/h2,6H,1,3-5H2/t6-/m1/s1.
What are the key properties of (4R)-4-ethenyloxan-2-one?
(4R)-4-ethenyloxan-2-one has a molecular weight of 126.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethenyloxan-2-one is sourced from PubChem (CID 101412797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).