2,2-Diethyl-1,3-dioxolane-4-methanol

C8H16O3 — CID 21902

IUPAC(2,2-diethyl-1,3-dioxolan-4-yl)methanol
SMILESCCC1(OCC(O1)CO)CC
InChIInChI=1S/C8H16O3/c1-3-8(4-2)10-6-7(5-9)11-8/h7,9H,3-6H2,1-2H3
InChIKeyWEIVFXLGBXCVEF-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.90
Rot. Bonds3

About 2,2-Diethyl-1,3-dioxolane-4-methanol

2,2-Diethyl-1,3-dioxolane-4-methanol (PubChem CID 21902) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2,2-diethyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name2,2-Diethyl-1,3-dioxolane-4-methanol
PubChem CID21902
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2,2-diethyl-1,3-dioxolan-4-yl)methanol
SMILESCCC1(OCC(O1)CO)CC
InChIInChI=1S/C8H16O3/c1-3-8(4-2)10-6-7(5-9)11-8/h7,9H,3-6H2,1-2H3
InChIKeyWEIVFXLGBXCVEF-UHFFFAOYSA-N
XLogP0.90
TPSA38.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity121

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Solketal
CID 7528
2,2-Bis(1-methylethyl)-1,3-dioxolane-4-methanol
CID 10105
(2-Methyl-1,3-dioxolan-4-yl)methanol
CID 95269
2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol
CID 21869
1,3-Dioxolane-4-methanol, 2-methyl-, (2R,4S)-rel-
CID 21678816
(2,4-Dimethyl-1,3-dioxolan-2-yl)methanol
CID 538742
(R)-Solketal
CID 736056
(+)-Solketal
CID 736057
Acetoin propyleneglycol ketal
CID 11971259
2-Methyl-2-pentyl-1,3-dioxolane-4-methanol
CID 20370
2-Methyl-2-propyl-1,3-dioxolane-4-methanol
CID 20372
(2-Butyl-2-ethyl-1,3-dioxolan-4-yl)methanol
CID 21897

Frequently Asked Questions

What is the IUPAC name of 2,2-Diethyl-1,3-dioxolane-4-methanol?
The IUPAC name of 2,2-Diethyl-1,3-dioxolane-4-methanol (CID 21902) is (2,2-diethyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for 2,2-Diethyl-1,3-dioxolane-4-methanol?
The canonical SMILES for 2,2-Diethyl-1,3-dioxolane-4-methanol is CCC1(OCC(O1)CO)CC.
What is the InChIKey of 2,2-Diethyl-1,3-dioxolane-4-methanol?
The InChIKey is WEIVFXLGBXCVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-8(4-2)10-6-7(5-9)11-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 2,2-Diethyl-1,3-dioxolane-4-methanol?
2,2-Diethyl-1,3-dioxolane-4-methanol has a molecular weight of 160.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-Diethyl-1,3-dioxolane-4-methanol is sourced from PubChem (CID 21902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).