1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol

C7H14O3 — CID 11971259

IUPAC1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol
SMILESCC1COC(C)(C(C)O)O1
InChIInChI=1S/C7H14O3/c1-5-4-9-7(3,10-5)6(2)8/h5-6,8H,4H2,1-3H3
InChIKeyZLBNMXMVFWMHAV-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.52
Rot. Bonds1

About 1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol

1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol (PubChem CID 11971259) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol
PubChem CID11971259
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol
SMILESCC1COC(C)(C(C)O)O1
InChIInChI=1S/C7H14O3/c1-5-4-9-7(3,10-5)6(2)8/h5-6,8H,4H2,1-3H3
InChIKeyZLBNMXMVFWMHAV-UHFFFAOYSA-N
XLogP0.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol?
The IUPAC name of 1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol (CID 11971259) is 1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol?
The canonical SMILES for 1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol is CC1COC(C)(C(C)O)O1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol?
The InChIKey is ZLBNMXMVFWMHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5-4-9-7(3,10-5)6(2)8/h5-6,8H,4H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol?
1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol has a molecular weight of 146.19 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol is sourced from PubChem (CID 11971259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).