(5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one

C11H18O3 — CID 102504750

IUPAC(5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one
SMILESCC1(C)CC[C@H]([C@@]2(C)CCC(=O)O2)O1
InChIInChI=1S/C11H18O3/c1-10(2)6-4-8(13-10)11(3)7-5-9(12)14-11/h8H,4-7H2,1-3H3/t8-,11-/m1/s1
InChIKeyVWGVLBQSESJNIU-LDYMZIIASA-N
MW198.26 g/mol
LogP2.04
Rot. Bonds1

About (5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one

(5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one (PubChem CID 102504750) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one
PubChem CID102504750
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one
SMILESCC1(C)CC[C@H]([C@@]2(C)CCC(=O)O2)O1
InChIInChI=1S/C11H18O3/c1-10(2)6-4-8(13-10)11(3)7-5-9(12)14-11/h8H,4-7H2,1-3H3/t8-,11-/m1/s1
InChIKeyVWGVLBQSESJNIU-LDYMZIIASA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-{1-[(3-Methyl-pentyl)oxy]propyl}tetrahydro-[3,3'-bifuran]-2,2'(3h,3'h)-dione
CID 154926309
(1S,2S,4R,8S,11S,12S)-4,8,12-trimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-13-one
CID 821401
(5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 10868459
[(1R,3S,4S,8R,10R)-3-methyl-7-oxo-2,9-dioxatricyclo[6.2.1.13,10]dodecan-4-yl] acetate
CID 11974789
(2S,2'R,2''R,3''S,5'S,5''R)-5''-((2S,3S,5R)-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl)-5'-ethyl-2,3''-dimethyldecahydro-[2,2':5',2''-terfuran]-5(2H)-one
CID 14163850
(+/-)-tert-Butyl 2-(5-oxotetrahydrofuran-2-yl)cyclopropanecarboxylate
CID 49831088
3-[(5R,8R,10R)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-2-oxo-1,3,9-trioxaspiro[4.5]decan-10-yl]propanal
CID 53360796
ethyl 4-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]butanoate
CID 134919074
[(1R,3R,4S,8R,10R)-3-methyl-7-oxo-2,9-dioxatricyclo[6.2.1.13,10]dodecan-4-yl] acetate
CID 135010245
(5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one
CID 138976076
[(3R,4S,5R)-4-octanoyloxy-8-oxo-1,7-dioxaspiro[4.4]nonan-3-yl] octanoate
CID 10622359
(5S)-5-[(2R,5S)-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-one
CID 10658859

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one?
The IUPAC name of (5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one (CID 102504750) is (5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one.
What is the SMILES notation for (5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one?
The canonical SMILES for (5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one is CC1(C)CC[C@H]([C@@]2(C)CCC(=O)O2)O1.
What is the InChIKey of (5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one?
The InChIKey is VWGVLBQSESJNIU-LDYMZIIASA-N. The full InChI is InChI=1S/C11H18O3/c1-10(2)6-4-8(13-10)11(3)7-5-9(12)14-11/h8H,4-7H2,1-3H3/t8-,11-/m1/s1.
What are the key properties of (5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one?
(5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one has a molecular weight of 198.26 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 102504750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).