(4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one

C7H10O2 — CID 5324907

IUPAC(4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one
SMILESC=C1C(=O)O[C@H](C)[C@@H]1C
InChIInChI=1S/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h4,6H,2H2,1,3H3/t4-,6-/m1/s1
InChIKeyGWSGIIGWNQXFIJ-INEUFUBQSA-N
MW126.16 g/mol
LogP1.12
Rot. Bonds

About (4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one

(4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one (PubChem CID 5324907) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is (4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one
PubChem CID5324907
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name(4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one
SMILESC=C1C(=O)O[C@H](C)[C@@H]1C
InChIInChI=1S/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h4,6H,2H2,1,3H3/t4-,6-/m1/s1
InChIKeyGWSGIIGWNQXFIJ-INEUFUBQSA-N
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.12
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

gamma-Methyl-alpha-methylene-gamma-butyrolactone
CID 99939
5-Ethyl-3-methylene-dihydro-furan-2-one
CID 10725353
alpha-Methylene-beta-methyl-gamma,gamma-dimethyl-gamma-butyrolactone
CID 13999518
(5S)-5-methyl-3-methylideneoxolan-2-one
CID 12303377
2(3H)-Furanone, dihydro-4-methyl-3-methylene-, (R)-
CID 11815838
5,5-Dimethyl-3-methylenedihydrofuran-2-one
CID 12303374
(5R)-5-methyl-3-methylideneoxolan-2-one
CID 12303376
(4S)-4-methyl-3-methylideneoxolan-2-one
CID 13291800
(4S,5R)-4,5-dimethyl-3-methylideneoxolan-2-one
CID 12789118
(4R,5S)-4,5-dimethyl-3-methylideneoxolan-2-one
CID 12789119
(4S,5S)-4-methyl-3-methylidene-5-propan-2-yloxolan-2-one
CID 14812498
4-methyl-3-methylenedihydrofuran-2(3H)-one
CID 10844358

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one?
The IUPAC name of (4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one (CID 5324907) is (4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one.
What is the SMILES notation for (4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one?
The canonical SMILES for (4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one is C=C1C(=O)O[C@H](C)[C@@H]1C.
What is the InChIKey of (4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one?
The InChIKey is GWSGIIGWNQXFIJ-INEUFUBQSA-N. The full InChI is InChI=1S/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h4,6H,2H2,1,3H3/t4-,6-/m1/s1.
What are the key properties of (4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one?
(4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one has a molecular weight of 126.16 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dimethyl-3-methylideneoxolan-2-one is sourced from PubChem (CID 5324907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).