oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

C18H26O10 — CID 134446873

IUPACoxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1(C)O[C@H]([C@@H]2OC(C)(C)O[C@H]2C(=O)OCC2CO2)[C@@H](C(=O)OCC2CO2)O1
InChIInChI=1S/C18H26O10/c1-17(2)25-11(13(27-17)15(19)23-7-9-5-21-9)12-14(28-18(3,4)26-12)16(20)24-8-10-6-22-10/h9-14H,5-8H2,1-4H3/t9?,10?,11-,12+,13+,14-
InChIKeyZSPOPTCXJQFLNA-RGPJTXMSSA-N
MW402.40 g/mol
LogP-0.09
Rot. Bonds7

About oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 134446873) has the molecular formula C18H26O10 and a molecular weight of 402.40 g/mol. Its IUPAC name is oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
PubChem CID134446873
Molecular FormulaC18H26O10
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Nameoxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1(C)O[C@H]([C@@H]2OC(C)(C)O[C@H]2C(=O)OCC2CO2)[C@@H](C(=O)OCC2CO2)O1
InChIInChI=1S/C18H26O10/c1-17(2)25-11(13(27-17)15(19)23-7-9-5-21-9)12-14(28-18(3,4)26-12)16(20)24-8-10-6-22-10/h9-14H,5-8H2,1-4H3/t9?,10?,11-,12+,13+,14-
InChIKeyZSPOPTCXJQFLNA-RGPJTXMSSA-N
XLogP-0.09
TPSA114.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate with MolForge

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Related Compounds

oxiran-2-ylmethyl (1S,2R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate
CID 132597117
benzyl (4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolane-4-carboxylate
CID 15977501
[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate
CID 129390267
bis(oxiran-2-ylmethyl) cyclopropane-1,2-dicarboxylate
CID 23069347
[(2R)-oxiran-2-yl]methyl (2R)-oxirane-2-carboxylate
CID 129390270
oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate
CID 110189647
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride
CID 155286842
methyl (4S,5S)-5-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 154706321
methyl (4R,5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 156595132
bis(oxiran-2-ylmethyl) 2-ethylpropanedioate
CID 141095093
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate (CID 134446873) is oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate is CC1(C)O[C@H]([C@@H]2OC(C)(C)O[C@H]2C(=O)OCC2CO2)[C@@H](C(=O)OCC2CO2)O1.
What is the InChIKey of oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is ZSPOPTCXJQFLNA-RGPJTXMSSA-N. The full InChI is InChI=1S/C18H26O10/c1-17(2)25-11(13(27-17)15(19)23-7-9-5-21-9)12-14(28-18(3,4)26-12)16(20)24-8-10-6-22-10/h9-14H,5-8H2,1-4H3/t9?,10?,11-,12+,13+,14-.
What are the key properties of oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 402.40 g/mol, XLogP of -0.09, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134446873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).