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

C8H16O3 — CID 537879

IUPAC2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethanol
SMILESCC1(CCO)COC(C)(C)O1
InChIInChI=1S/C8H16O3/c1-7(2)10-6-8(3,11-7)4-5-9/h9H,4-6H2,1-3H3
InChIKeySPNYIGJVHMKZPI-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.91
Rot. Bonds2

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

2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethanol (PubChem CID 537879) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethanol
PubChem CID537879
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethanol
SMILESCC1(CCO)COC(C)(C)O1
InChIInChI=1S/C8H16O3/c1-7(2)10-6-8(3,11-7)4-5-9/h9H,4-6H2,1-3H3
InChIKeySPNYIGJVHMKZPI-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethanol?
The IUPAC name of 2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethanol (CID 537879) is 2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethanol.
What is the SMILES notation for 2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethanol?
The canonical SMILES for 2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethanol is CC1(CCO)COC(C)(C)O1.
What is the InChIKey of 2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethanol?
The InChIKey is SPNYIGJVHMKZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(2)10-6-8(3,11-7)4-5-9/h9H,4-6H2,1-3H3.
What are the key properties of 2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethanol?
2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethanol has a molecular weight of 160.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethanol is sourced from PubChem (CID 537879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).