(4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane

C13H22O4 — CID 11368493

IUPAC(4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane
SMILESCC1(C)OC[C@@H]([C@@]2(C)CC[C@H]([C@@]3(C)CO3)O2)O1
InChIInChI=1S/C13H22O4/c1-11(2)14-7-10(16-11)12(3)6-5-9(17-12)13(4)8-15-13/h9-10H,5-8H2,1-4H3/t9-,10+,12-,13-/m1/s1
InChIKeyCRUGZLGVBISWMU-LYIQGSDWSA-N
MW242.31 g/mol
LogP1.86
Rot. Bonds2

About (4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane (PubChem CID 11368493) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane
PubChem CID11368493
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane
SMILESCC1(C)OC[C@@H]([C@@]2(C)CC[C@H]([C@@]3(C)CO3)O2)O1
InChIInChI=1S/C13H22O4/c1-11(2)14-7-10(16-11)12(3)6-5-9(17-12)13(4)8-15-13/h9-10H,5-8H2,1-4H3/t9-,10+,12-,13-/m1/s1
InChIKeyCRUGZLGVBISWMU-LYIQGSDWSA-N
XLogP1.86
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane with MolForge

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Launch Full Analysis

Related Compounds

2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol
CID 154708000
2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal
CID 154708199
(2S)-2-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 10881524
(2S,5S)-5-ethenyl-2-methyl-2-[(2R,5S)-5-methyl-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxolane
CID 11961349
(1S,4R,6S,10S,12S,15R,17S,21S)-1,6,12,17-tetramethyl-5,8,11,16,19,22-hexaoxapentacyclo[19.1.0.04,6.010,12.015,17]docosane-7,18-dione
CID 10386046
(1R,4S,6R,10E,14S,16S,19R,21S,25E,29R)-4,10,14,19,25,29-hexamethyl-5,8,15,20,23,30-hexaoxapentacyclo[27.1.0.04,6.014,16.019,21]triaconta-10,25-diene-9,24-dione
CID 20704529
(1S,4R,6R,10E,14R,16R,19S,21S,25E,29S)-4,10,14,19,25,29-hexamethyl-5,8,15,20,23,30-hexaoxapentacyclo[27.1.0.04,6.014,16.019,21]triaconta-10,25-diene-9,24-dione
CID 10346984
(1R,4S,6R,10E,14R,16R,19R,21S,25E,29R)-4,10,14,19,25,29-hexamethyl-5,8,15,20,23,30-hexaoxapentacyclo[27.1.0.04,6.014,16.019,21]triaconta-10,25-diene-9,24-dione
CID 20704349
2,2-dimethyl-1,3-dioxolan-4-ol;methanol
CID 70486322
(1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane
CID 101031526
4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol
CID 5024745
(1R,5S)-1,4,4-trimethyl-3,8-dioxabicyclo[3.2.1]octan-2-ol
CID 130809034

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane (CID 11368493) is (4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane is CC1(C)OC[C@@H]([C@@]2(C)CC[C@H]([C@@]3(C)CO3)O2)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane?
The InChIKey is CRUGZLGVBISWMU-LYIQGSDWSA-N. The full InChI is InChI=1S/C13H22O4/c1-11(2)14-7-10(16-11)12(3)6-5-9(17-12)13(4)8-15-13/h9-10H,5-8H2,1-4H3/t9-,10+,12-,13-/m1/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane has a molecular weight of 242.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane is sourced from PubChem (CID 11368493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).