(6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one

C13H20O4 — CID 11021017

IUPAC(6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one
SMILESCC1(C)OC[C@@H]([C@H]2C[C@@H]2[C@H]2CCCC(=O)O2)O1
InChIInChI=1S/C13H20O4/c1-13(2)15-7-11(17-13)9-6-8(9)10-4-3-5-12(14)16-10/h8-11H,3-7H2,1-2H3/t8-,9-,10+,11-/m0/s1
InChIKeyXWWPXXYSPKIENG-MMWGEVLESA-N
MW240.30 g/mol
LogP1.87
Rot. Bonds2

About (6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one

(6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one (PubChem CID 11021017) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is (6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one.

Molecular Properties

Compound Name(6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one
PubChem CID11021017
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name(6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one
SMILESCC1(C)OC[C@@H]([C@H]2C[C@@H]2[C@H]2CCCC(=O)O2)O1
InChIInChI=1S/C13H20O4/c1-13(2)15-7-11(17-13)9-6-8(9)10-4-3-5-12(14)16-10/h8-11H,3-7H2,1-2H3/t8-,9-,10+,11-/m0/s1
InChIKeyXWWPXXYSPKIENG-MMWGEVLESA-N
XLogP1.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one?
The IUPAC name of (6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one (CID 11021017) is (6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one.
What is the SMILES notation for (6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one?
The canonical SMILES for (6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one is CC1(C)OC[C@@H]([C@H]2C[C@@H]2[C@H]2CCCC(=O)O2)O1.
What is the InChIKey of (6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one?
The InChIKey is XWWPXXYSPKIENG-MMWGEVLESA-N. The full InChI is InChI=1S/C13H20O4/c1-13(2)15-7-11(17-13)9-6-8(9)10-4-3-5-12(14)16-10/h8-11H,3-7H2,1-2H3/t8-,9-,10+,11-/m0/s1.
What are the key properties of (6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one?
(6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one has a molecular weight of 240.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]oxan-2-one is sourced from PubChem (CID 11021017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).