5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol

C12H22O6 — CID 143992071

IUPAC5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol
SMILESCC1(C)OC(O)C(C2OC(C)(C)OC2CCO)O1
InChIInChI=1S/C12H22O6/c1-11(2)15-7(5-6-13)8(16-11)9-10(14)18-12(3,4)17-9/h7-10,13-14H,5-6H2,1-4H3
InChIKeyQWZPVXXUJGULBC-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.36
Rot. Bonds3

About 5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol

5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol (PubChem CID 143992071) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is 5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol.

Molecular Properties

Compound Name5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol
PubChem CID143992071
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol
SMILESCC1(C)OC(O)C(C2OC(C)(C)OC2CCO)O1
InChIInChI=1S/C12H22O6/c1-11(2)15-7(5-6-13)8(16-11)9-10(14)18-12(3,4)17-9/h7-10,13-14H,5-6H2,1-4H3
InChIKeyQWZPVXXUJGULBC-UHFFFAOYSA-N
XLogP0.36
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,5R)-5-(2-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 159327740
(3aR,6R,6aR)-6-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 10487850
(3aR,4R,6S,6aS)-6-(iodomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 23240266
(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol
CID 101384233
(4R,6R)-6-(methoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 70964585
[(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol
CID 22887044
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol
CID 118151829
(3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 22308831
(3aS,5R,6S,6aR)-3a-amino-5-(2-hydroxyethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 70364532
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138967635

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol?
The IUPAC name of 5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol (CID 143992071) is 5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol.
What is the SMILES notation for 5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol?
The canonical SMILES for 5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol is CC1(C)OC(O)C(C2OC(C)(C)OC2CCO)O1.
What is the InChIKey of 5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol?
The InChIKey is QWZPVXXUJGULBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6/c1-11(2)15-7(5-6-13)8(16-11)9-10(14)18-12(3,4)17-9/h7-10,13-14H,5-6H2,1-4H3.
What are the key properties of 5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol?
5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol has a molecular weight of 262.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol is sourced from PubChem (CID 143992071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).