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

C7H14O3 — CID 4219754

IUPAC2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol
SMILESCC1(C)OCC(CCO)O1
InChIInChI=1S/C7H14O3/c1-7(2)9-5-6(10-7)3-4-8/h6,8H,3-5H2,1-2H3
InChIKeyYYEZYENJAMOWHW-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.52
Rot. Bonds2

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

2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol (PubChem CID 4219754) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol
PubChem CID4219754
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol
SMILESCC1(C)OCC(CCO)O1
InChIInChI=1S/C7H14O3/c1-7(2)9-5-6(10-7)3-4-8/h6,8H,3-5H2,1-2H3
InChIKeyYYEZYENJAMOWHW-UHFFFAOYSA-N
XLogP0.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

Solketal
CID 7528
(2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
CID 448719
(2-Methyl-1,3-dioxolan-4-yl)methanol
CID 95269
(+)-Solketal
CID 736057
(2,4-Dimethyl-1,3-dioxolan-2-yl)methanol
CID 538742
(R)-Solketal
CID 736056
1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4S,5S)-
CID 785242
1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4R,5R)-
CID 785244
2-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-ol
CID 11051805
(4R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane
CID 11480522
1,3-Dioxolane-4-methanol, 2-methyl-, (2R,4S)-rel-
CID 21678816
Acetoin propyleneglycol ketal
CID 11971259

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol (CID 4219754) is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol is CC1(C)OCC(CCO)O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol?
The InChIKey is YYEZYENJAMOWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(2)9-5-6(10-7)3-4-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol?
2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol has a molecular weight of 146.19 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol is sourced from PubChem (CID 4219754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).