(5R)-5-ethyl-2,4-dimethyloxolan-3-one

C8H14O2 — CID 59796353

IUPAC(5R)-5-ethyl-2,4-dimethyloxolan-3-one
SMILESCC[C@H]1OC(C)C(=O)C1C
InChIInChI=1S/C8H14O2/c1-4-7-5(2)8(9)6(3)10-7/h5-7H,4H2,1-3H3/t5?,6?,7-/m1/s1
InChIKeyXEDRDGPNPBVQRX-KPGICGJXSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds1

About (5R)-5-ethyl-2,4-dimethyloxolan-3-one

(5R)-5-ethyl-2,4-dimethyloxolan-3-one (PubChem CID 59796353) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (5R)-5-ethyl-2,4-dimethyloxolan-3-one.

Molecular Properties

Compound Name(5R)-5-ethyl-2,4-dimethyloxolan-3-one
PubChem CID59796353
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(5R)-5-ethyl-2,4-dimethyloxolan-3-one
SMILESCC[C@H]1OC(C)C(=O)C1C
InChIInChI=1S/C8H14O2/c1-4-7-5(2)8(9)6(3)10-7/h5-7H,4H2,1-3H3/t5?,6?,7-/m1/s1
InChIKeyXEDRDGPNPBVQRX-KPGICGJXSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-2,4-dimethyloxolan-3-one?
The IUPAC name of (5R)-5-ethyl-2,4-dimethyloxolan-3-one (CID 59796353) is (5R)-5-ethyl-2,4-dimethyloxolan-3-one.
What is the SMILES notation for (5R)-5-ethyl-2,4-dimethyloxolan-3-one?
The canonical SMILES for (5R)-5-ethyl-2,4-dimethyloxolan-3-one is CC[C@H]1OC(C)C(=O)C1C.
What is the InChIKey of (5R)-5-ethyl-2,4-dimethyloxolan-3-one?
The InChIKey is XEDRDGPNPBVQRX-KPGICGJXSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-7-5(2)8(9)6(3)10-7/h5-7H,4H2,1-3H3/t5?,6?,7-/m1/s1.
What are the key properties of (5R)-5-ethyl-2,4-dimethyloxolan-3-one?
(5R)-5-ethyl-2,4-dimethyloxolan-3-one has a molecular weight of 142.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-2,4-dimethyloxolan-3-one is sourced from PubChem (CID 59796353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).