1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol

C11H22O6 — CID 18740051

IUPAC1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol
SMILESCOCC(O)C1OC(C)(C)OC1C(O)COC
InChIInChI=1S/C11H22O6/c1-11(2)16-9(7(12)5-14-3)10(17-11)8(13)6-15-4/h7-10,12-13H,5-6H2,1-4H3
InChIKeyPIJWIYAQEHVZPS-UHFFFAOYSA-N
MW250.29 g/mol
LogP-0.48
Rot. Bonds6

About 1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol

1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol (PubChem CID 18740051) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol.

Molecular Properties

Compound Name1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol
PubChem CID18740051
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Name1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol
SMILESCOCC(O)C1OC(C)(C)OC1C(O)COC
InChIInChI=1S/C11H22O6/c1-11(2)16-9(7(12)5-14-3)10(17-11)8(13)6-15-4/h7-10,12-13H,5-6H2,1-4H3
InChIKeyPIJWIYAQEHVZPS-UHFFFAOYSA-N
XLogP-0.48
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol?
The IUPAC name of 1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol (CID 18740051) is 1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol.
What is the SMILES notation for 1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol?
The canonical SMILES for 1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol is COCC(O)C1OC(C)(C)OC1C(O)COC.
What is the InChIKey of 1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol?
The InChIKey is PIJWIYAQEHVZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6/c1-11(2)16-9(7(12)5-14-3)10(17-11)8(13)6-15-4/h7-10,12-13H,5-6H2,1-4H3.
What are the key properties of 1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol?
1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol has a molecular weight of 250.29 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol is sourced from PubChem (CID 18740051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).