(2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one

C15H22O7 — CID 23260390

IUPAC(2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one
SMILESCOC1=C[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)OC1=O
InChIInChI=1S/C15H22O7/c1-14(2)18-7-10(20-14)12-11(21-15(3,4)22-12)8-6-9(17-5)13(16)19-8/h6,8,10-12H,7H2,1-5H3/t8-,10-,11-,12-/m1/s1
InChIKeyVJOPFADEYACCAR-HJQYOEGKSA-N
MW314.33 g/mol
LogP1.11
Rot. Bonds3

About (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one

(2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one (PubChem CID 23260390) has the molecular formula C15H22O7 and a molecular weight of 314.33 g/mol. Its IUPAC name is (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one
PubChem CID23260390
Molecular FormulaC15H22O7
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name(2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one
SMILESCOC1=C[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)OC1=O
InChIInChI=1S/C15H22O7/c1-14(2)18-7-10(20-14)12-11(21-15(3,4)22-12)8-6-9(17-5)13(16)19-8/h6,8,10-12H,7H2,1-5H3/t8-,10-,11-,12-/m1/s1
InChIKeyVJOPFADEYACCAR-HJQYOEGKSA-N
XLogP1.11
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl (5R,9R)-9-ethoxy-1,6-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 10611086
methyl (2E)-2-[(3aR,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ylidene]acetate
CID 11066998
ethyl (E)-3-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 101472097
ethyl (Z)-3-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 101472098
(3aS)-2-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
CID 68035080
methyl (3S,4R)-3,4-diacetyloxy-2-(2-acetyloxyethyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 89473184
methyl 3,4-diacetyloxy-2-(2-acetyloxyethyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 123708899
methyl (3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxylate
CID 169035096
ethyl (5S,9R)-9-ethoxy-1,6-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 10515224
[(2S)-2-[(4R,5R)-5-[(1R)-1-acetyloxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-2H-furan-4-yl] acetate
CID 10758640
methyl (2Z)-2-[(3aR,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ylidene]acetate
CID 10946953
2-O-[(2R,3R,3aR,6aS)-2-ethoxy-5-ethoxycarbonyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl] 1-O-ethyl oxalate
CID 11024373

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one (CID 23260390) is (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one is COC1=C[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)OC1=O.
What is the InChIKey of (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one?
The InChIKey is VJOPFADEYACCAR-HJQYOEGKSA-N. The full InChI is InChI=1S/C15H22O7/c1-14(2)18-7-10(20-14)12-11(21-15(3,4)22-12)8-6-9(17-5)13(16)19-8/h6,8,10-12H,7H2,1-5H3/t8-,10-,11-,12-/m1/s1.
What are the key properties of (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one?
(2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one has a molecular weight of 314.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2H-furan-5-one is sourced from PubChem (CID 23260390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).