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

C8H16O3 — CID 18471524

IUPAC2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
SMILESCC1(C)OCCC(CCO)O1
InChIInChI=1S/C8H16O3/c1-8(2)10-6-4-7(11-8)3-5-9/h7,9H,3-6H2,1-2H3
InChIKeyWIBQXQZIIZKUBT-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.91
Rot. Bonds2

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

2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol (PubChem CID 18471524) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
PubChem CID18471524
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
SMILESCC1(C)OCCC(CCO)O1
InChIInChI=1S/C8H16O3/c1-8(2)10-6-4-7(11-8)3-5-9/h7,9H,3-6H2,1-2H3
InChIKeyWIBQXQZIIZKUBT-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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Related Compounds

2-(2,4-Dimethyl-1,3-dioxan-2-yl)ethanol
CID 91420606
(2R)-1-(oxan-2-yloxy)butan-2-ol
CID 89092451
(2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol
CID 134995770
(2R)-2-((tetrahydro-2H-pyran-2-yl)oxy)propan-1-ol
CID 9793900
(2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol
CID 10103649
1-Butanol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-
CID 10559145
3-Tetrahydropyranyloxy-1-propanol
CID 10855766
6-(Tetrahydro-2h-pyran-2-yloxy)hex-4-yn-3-ol
CID 11052595
(2R,3S)-2-methyl-3-tetrahydropyranyloxybutanol
CID 11194794
(2r)-2-Methyl-3-((tetrahydro-2h-pyran-2-yl)oxy)propan-1-ol
CID 12290654
(3s)-3-(Tetrahydro-2h-pyran-2-yloxy)butan-1-ol
CID 15019404
2,2-Dimethyl-3-(tetrahydro-pyran-2-yloxy)-propan-1-ol
CID 15811365

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol (CID 18471524) is 2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol is CC1(C)OCCC(CCO)O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol?
The InChIKey is WIBQXQZIIZKUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2)10-6-4-7(11-8)3-5-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol?
2-(2,2-dimethyl-1,3-dioxan-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-dimethyl-1,3-dioxan-4-yl)ethanol is sourced from PubChem (CID 18471524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).