(4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one

C11H20O6 — CID 13293632

IUPAC(4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one
SMILESCOC(OC)C(=O)C[C@@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O6/c1-11(2)16-6-9(17-11)7(12)5-8(13)10(14-3)15-4/h7,9-10,12H,5-6H2,1-4H3/t7-,9-/m1/s1
InChIKeyUSXPNGLXYSBLJO-VXNVDRBHSA-N
MW248.27 g/mol
LogP0.08
Rot. Bonds6

About (4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one

(4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one (PubChem CID 13293632) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is (4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one.

Molecular Properties

Compound Name(4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one
PubChem CID13293632
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name(4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one
SMILESCOC(OC)C(=O)C[C@@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O6/c1-11(2)16-6-9(17-11)7(12)5-8(13)10(14-3)15-4/h7,9-10,12H,5-6H2,1-4H3/t7-,9-/m1/s1
InChIKeyUSXPNGLXYSBLJO-VXNVDRBHSA-N
XLogP0.08
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one?
The IUPAC name of (4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one (CID 13293632) is (4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one.
What is the SMILES notation for (4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one?
The canonical SMILES for (4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one is COC(OC)C(=O)C[C@@H](O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one?
The InChIKey is USXPNGLXYSBLJO-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H20O6/c1-11(2)16-6-9(17-11)7(12)5-8(13)10(14-3)15-4/h7,9-10,12H,5-6H2,1-4H3/t7-,9-/m1/s1.
What are the key properties of (4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one?
(4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one has a molecular weight of 248.27 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1,1-dimethoxybutan-2-one is sourced from PubChem (CID 13293632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).