(2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one

C9H12O3 — CID 134856242

IUPAC(2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one
SMILESCC1=C[C@H]([C@H]2CCCO2)OC1=O
InChIInChI=1S/C9H12O3/c1-6-5-8(12-9(6)10)7-3-2-4-11-7/h5,7-8H,2-4H2,1H3/t7-,8-/m1/s1
InChIKeyQMWSBLFCOMCOMP-HTQZYQBOSA-N
MW168.19 g/mol
LogP1.04
Rot. Bonds1

About (2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one

(2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one (PubChem CID 134856242) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one
PubChem CID134856242
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name(2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one
SMILESCC1=C[C@H]([C@H]2CCCO2)OC1=O
InChIInChI=1S/C9H12O3/c1-6-5-8(12-9(6)10)7-3-2-4-11-7/h5,7-8H,2-4H2,1H3/t7-,8-/m1/s1
InChIKeyQMWSBLFCOMCOMP-HTQZYQBOSA-N
XLogP1.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one?
The IUPAC name of (2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one (CID 134856242) is (2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one.
What is the SMILES notation for (2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one?
The canonical SMILES for (2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one is CC1=C[C@H]([C@H]2CCCO2)OC1=O.
What is the InChIKey of (2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one?
The InChIKey is QMWSBLFCOMCOMP-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H12O3/c1-6-5-8(12-9(6)10)7-3-2-4-11-7/h5,7-8H,2-4H2,1H3/t7-,8-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one?
(2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one has a molecular weight of 168.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one is sourced from PubChem (CID 134856242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).