(5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one

C13H22O4 — CID 10868459

IUPAC(5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
SMILESCCCC[C@]1([C@@H]2COC(C)(C)O2)CCC(=O)O1
InChIInChI=1S/C13H22O4/c1-4-5-7-13(8-6-11(14)17-13)10-9-15-12(2,3)16-10/h10H,4-9H2,1-3H3/t10-,13+/m0/s1
InChIKeyVJNMZMJCBSMGKP-GXFFZTMASA-N
MW242.31 g/mol
LogP2.40
Rot. Bonds4

About (5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one

(5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one (PubChem CID 10868459) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
PubChem CID10868459
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
SMILESCCCC[C@]1([C@@H]2COC(C)(C)O2)CCC(=O)O1
InChIInChI=1S/C13H22O4/c1-4-5-7-13(8-6-11(14)17-13)10-9-15-12(2,3)16-10/h10H,4-9H2,1-3H3/t10-,13+/m0/s1
InChIKeyVJNMZMJCBSMGKP-GXFFZTMASA-N
XLogP2.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-(1,4-Dioxaspiro[4.4]non-6-yl)propionic acid methyl ester
CID 10798675
(5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 10935035
(5S)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 21633354
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
(6R)-6-butyl-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-one
CID 102392244
(1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one
CID 134858310
Tert-butyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)butanoate
CID 135038740
(5S)-5-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]oxolan-2-one
CID 139039708
tert-butyl 3-((3aR,4R,6R,6aS)-6-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)propanoate
CID 164889146
[(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
(5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one
CID 10976452

Frequently Asked Questions

What is the IUPAC name of (5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The IUPAC name of (5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one (CID 10868459) is (5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one.
What is the SMILES notation for (5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The canonical SMILES for (5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one is CCCC[C@]1([C@@H]2COC(C)(C)O2)CCC(=O)O1.
What is the InChIKey of (5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The InChIKey is VJNMZMJCBSMGKP-GXFFZTMASA-N. The full InChI is InChI=1S/C13H22O4/c1-4-5-7-13(8-6-11(14)17-13)10-9-15-12(2,3)16-10/h10H,4-9H2,1-3H3/t10-,13+/m0/s1.
What are the key properties of (5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
(5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one has a molecular weight of 242.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one is sourced from PubChem (CID 10868459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).