(2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one

C12H20O6 — CID 18607164

IUPAC(2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one
SMILESCC1(C)C(=O)[C@]1(O)[C@]1(O)C(C)(C)[C@]1(O)[C@H](O)CO
InChIInChI=1S/C12H20O6/c1-8(2)7(15)11(8,17)12(18)9(3,4)10(12,16)6(14)5-13/h6,13-14,16-18H,5H2,1-4H3/t6-,10-,11-,12+/m1/s1
InChIKeyMIWUIQJIYIKEFP-ZNHSANFISA-N
MW260.29 g/mol
LogP-1.82
Rot. Bonds3

About (2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one

(2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one (PubChem CID 18607164) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one
PubChem CID18607164
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name(2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one
SMILESCC1(C)C(=O)[C@]1(O)[C@]1(O)C(C)(C)[C@]1(O)[C@H](O)CO
InChIInChI=1S/C12H20O6/c1-8(2)7(15)11(8,17)12(18)9(3,4)10(12,16)6(14)5-13/h6,13-14,16-18H,5H2,1-4H3/t6-,10-,11-,12+/m1/s1
InChIKeyMIWUIQJIYIKEFP-ZNHSANFISA-N
XLogP-1.82
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one?
The IUPAC name of (2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one (CID 18607164) is (2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one.
What is the SMILES notation for (2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one?
The canonical SMILES for (2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one is CC1(C)C(=O)[C@]1(O)[C@]1(O)C(C)(C)[C@]1(O)[C@H](O)CO.
What is the InChIKey of (2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one?
The InChIKey is MIWUIQJIYIKEFP-ZNHSANFISA-N. The full InChI is InChI=1S/C12H20O6/c1-8(2)7(15)11(8,17)12(18)9(3,4)10(12,16)6(14)5-13/h6,13-14,16-18H,5H2,1-4H3/t6-,10-,11-,12+/m1/s1.
What are the key properties of (2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one?
(2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one has a molecular weight of 260.29 g/mol, XLogP of -1.82, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]-1,2-dihydroxy-3,3-dimethylcyclopropyl]-2-hydroxy-3,3-dimethylcyclopropan-1-one is sourced from PubChem (CID 18607164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).