(5R,6R)-5-ethenyl-6-methyloxan-2-one

C8H12O2 — CID 11320973

IUPAC(5R,6R)-5-ethenyl-6-methyloxan-2-one
SMILESC=C[C@H]1CCC(=O)O[C@@H]1C
InChIInChI=1S/C8H12O2/c1-3-7-4-5-8(9)10-6(7)2/h3,6-7H,1,4-5H2,2H3/t6-,7+/m1/s1
InChIKeyVJWQFJRSGDAGRN-RQJHMYQMSA-N
MW140.18 g/mol
LogP1.51
Rot. Bonds1

About (5R,6R)-5-ethenyl-6-methyloxan-2-one

(5R,6R)-5-ethenyl-6-methyloxan-2-one (PubChem CID 11320973) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (5R,6R)-5-ethenyl-6-methyloxan-2-one.

Molecular Properties

Compound Name(5R,6R)-5-ethenyl-6-methyloxan-2-one
PubChem CID11320973
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(5R,6R)-5-ethenyl-6-methyloxan-2-one
SMILESC=C[C@H]1CCC(=O)O[C@@H]1C
InChIInChI=1S/C8H12O2/c1-3-7-4-5-8(9)10-6(7)2/h3,6-7H,1,4-5H2,2H3/t6-,7+/m1/s1
InChIKeyVJWQFJRSGDAGRN-RQJHMYQMSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.51
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

(5R,6S)-5-iodo-6-methyloxan-2-one
CID 134865447
CID 167346597
CID 167346597
5-methyl-4-prop-2-enyloxolan-2-one
CID 14489431
5-methyloxolan-2-one
CID 69397003
(5R,6S)-5-(dimethylamino)-6-methyloxan-2-one
CID 10920770
(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one
CID 135037990
9,10-dimethyloxecan-2-one
CID 102227238
(2R,3S,6S)-3,6-bis(ethenyl)-2-methyloxane
CID 10931635
(2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane
CID 92840159
(3aS,4R,6aR)-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 102158850
(2S,3R)-3-ethenyl-2-methyloxane
CID 139439800
5-bromo-4,6-dimethyloxan-2-one
CID 130020674

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-ethenyl-6-methyloxan-2-one?
The IUPAC name of (5R,6R)-5-ethenyl-6-methyloxan-2-one (CID 11320973) is (5R,6R)-5-ethenyl-6-methyloxan-2-one.
What is the SMILES notation for (5R,6R)-5-ethenyl-6-methyloxan-2-one?
The canonical SMILES for (5R,6R)-5-ethenyl-6-methyloxan-2-one is C=C[C@H]1CCC(=O)O[C@@H]1C.
What is the InChIKey of (5R,6R)-5-ethenyl-6-methyloxan-2-one?
The InChIKey is VJWQFJRSGDAGRN-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-7-4-5-8(9)10-6(7)2/h3,6-7H,1,4-5H2,2H3/t6-,7+/m1/s1.
What are the key properties of (5R,6R)-5-ethenyl-6-methyloxan-2-one?
(5R,6R)-5-ethenyl-6-methyloxan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-ethenyl-6-methyloxan-2-one is sourced from PubChem (CID 11320973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).