(2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran

C14H22O4 — CID 11219010

IUPAC(2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran
SMILESC[C@]1([C@@H]2CO2)CC[C@H]2O[C@](C)([C@H]3CO3)CC[C@@H]2O1
InChIInChI=1S/C14H22O4/c1-13(11-7-15-11)5-3-10-9(17-13)4-6-14(2,18-10)12-8-16-12/h9-12H,3-8H2,1-2H3/t9-,10+,11-,12+,13+,14-
InChIKeyGFTMSFBDOQYAQJ-QSWPVVRKSA-N
MW254.33 g/mol
LogP1.66
Rot. Bonds2

About (2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran

(2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran (PubChem CID 11219010) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran.

Molecular Properties

Compound Name(2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran
PubChem CID11219010
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran
SMILESC[C@]1([C@@H]2CO2)CC[C@H]2O[C@](C)([C@H]3CO3)CC[C@@H]2O1
InChIInChI=1S/C14H22O4/c1-13(11-7-15-11)5-3-10-9(17-13)4-6-14(2,18-10)12-8-16-12/h9-12H,3-8H2,1-2H3/t9-,10+,11-,12+,13+,14-
InChIKeyGFTMSFBDOQYAQJ-QSWPVVRKSA-N
XLogP1.66
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran with MolForge

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Launch Full Analysis

Related Compounds

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CID 10870683
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CID 89216165
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CID 143374467

Frequently Asked Questions

What is the IUPAC name of (2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran?
The IUPAC name of (2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran (CID 11219010) is (2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran.
What is the SMILES notation for (2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran?
The canonical SMILES for (2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran is C[C@]1([C@@H]2CO2)CC[C@H]2O[C@](C)([C@H]3CO3)CC[C@@H]2O1.
What is the InChIKey of (2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran?
The InChIKey is GFTMSFBDOQYAQJ-QSWPVVRKSA-N. The full InChI is InChI=1S/C14H22O4/c1-13(11-7-15-11)5-3-10-9(17-13)4-6-14(2,18-10)12-8-16-12/h9-12H,3-8H2,1-2H3/t9-,10+,11-,12+,13+,14-.
What are the key properties of (2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran?
(2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran has a molecular weight of 254.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aS,6R,8aR)-2,6-dimethyl-6-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran is sourced from PubChem (CID 11219010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).