(2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane

C15H28O2 — CID 172640700

IUPAC(2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane
SMILESCC[C@]1(CC[C@H]2O[C@]2(CC)CC(C)C)O[C@@H]1C
InChIInChI=1S/C15H28O2/c1-6-14(12(5)16-14)9-8-13-15(7-2,17-13)10-11(3)4/h11-13H,6-10H2,1-5H3/t12-,13-,14-,15-/m1/s1
InChIKeyVPENCPTXKGWVMP-KBUPBQIOSA-N
MW240.39 g/mol
LogP3.93
Rot. Bonds7

About (2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane

(2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane (PubChem CID 172640700) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane
PubChem CID172640700
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane
SMILESCC[C@]1(CC[C@H]2O[C@]2(CC)CC(C)C)O[C@@H]1C
InChIInChI=1S/C15H28O2/c1-6-14(12(5)16-14)9-8-13-15(7-2,17-13)10-11(3)4/h11-13H,6-10H2,1-5H3/t12-,13-,14-,15-/m1/s1
InChIKeyVPENCPTXKGWVMP-KBUPBQIOSA-N
XLogP3.93
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane with MolForge

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Related Compounds

(1R,3S,5S,8S,10S,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane
CID 44566709
(2R,3R)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]ethyl]-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxirane
CID 100923630
(1R,3S,5R,8S,10S,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane
CID 163190209
Hexaepoxysqualene
CID 165790
Diglycidylather
CID 129634599
1,6-Dimethyl-5,10-dioxatricyclo[7.1.0.04,6]decane
CID 20482972
Nerol oxide oxide oxide
CID 129689860
(3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane
CID 135010286
3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane
CID 135036823
2-[2-(3,3-Dimethyloxiran-2-yl)ethyl]butane-1,4-diol
CID 135084125
(1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane
CID 139092132
1,4-Dimethyl-5,10-dioxatricyclo(7.1.0.04,6)decane
CID 44150519

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane?
The IUPAC name of (2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane (CID 172640700) is (2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane.
What is the SMILES notation for (2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane?
The canonical SMILES for (2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane is CC[C@]1(CC[C@H]2O[C@]2(CC)CC(C)C)O[C@@H]1C.
What is the InChIKey of (2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane?
The InChIKey is VPENCPTXKGWVMP-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-14(12(5)16-14)9-8-13-15(7-2,17-13)10-11(3)4/h11-13H,6-10H2,1-5H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane?
(2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane has a molecular weight of 240.39 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-2-[2-[(2R,3R)-3-ethyl-3-(2-methylpropyl)oxiran-2-yl]ethyl]-3-methyloxirane is sourced from PubChem (CID 172640700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).