2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol

C8H16O3 — CID 130124154

IUPAC2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol
SMILESCC1(C)OCOCC1CCO
InChIInChI=1S/C8H16O3/c1-8(2)7(3-4-9)5-10-6-11-8/h7,9H,3-6H2,1-2H3
InChIKeyAOJFHCSZNPOFSB-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.77
Rot. Bonds2

About 2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol

2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol (PubChem CID 130124154) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol.

Molecular Properties

Compound Name2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol
PubChem CID130124154
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol
SMILESCC1(C)OCOCC1CCO
InChIInChI=1S/C8H16O3/c1-8(2)7(3-4-9)5-10-6-11-8/h7,9H,3-6H2,1-2H3
InChIKeyAOJFHCSZNPOFSB-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5R)-4,4-dimethyl-1,3-dioxan-5-yl]methyl acetate
CID 10419969
2-(4,4-difluorooxan-3-yl)ethanol
CID 165442667
3-(3,3-dimethyldioxolan-4-yl)propan-1-ol
CID 87498556
4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one
CID 130691249
2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol
CID 10725629
2-(2-ethyl-2-methylcyclopropyl)ethanol
CID 72514759
3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114624243
5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane;2-(2,2-dimethyl-1,3-dioxan-5-yl)ethanol
CID 161359020
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
CID 67855478
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
CID 18471524
2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol
CID 117017383

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol?
The IUPAC name of 2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol (CID 130124154) is 2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol.
What is the SMILES notation for 2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol?
The canonical SMILES for 2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol is CC1(C)OCOCC1CCO.
What is the InChIKey of 2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol?
The InChIKey is AOJFHCSZNPOFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2)7(3-4-9)5-10-6-11-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol?
2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol has a molecular weight of 160.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol is sourced from PubChem (CID 130124154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).