4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol

C11H22O4 — CID 13464119

IUPAC4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol
SMILESCC(O)CCOCCC1OCCC(C)O1
InChIInChI=1S/C11H22O4/c1-9(12)3-6-13-7-5-11-14-8-4-10(2)15-11/h9-12H,3-8H2,1-2H3
InChIKeyVKJQXMRWMGHJJR-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.32
Rot. Bonds6

About 4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol

4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol (PubChem CID 13464119) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol.

Molecular Properties

Compound Name4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol
PubChem CID13464119
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol
SMILESCC(O)CCOCCC1OCCC(C)O1
InChIInChI=1S/C11H22O4/c1-9(12)3-6-13-7-5-11-14-8-4-10(2)15-11/h9-12H,3-8H2,1-2H3
InChIKeyVKJQXMRWMGHJJR-UHFFFAOYSA-N
XLogP1.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol
CID 13464120
2-[2-(3-methylbutoxy)ethyl]oxetane
CID 150212884
(2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane
CID 13183691
4-(2-methoxyethoxy)butan-2-ol
CID 21045149
(2S)-1-(2-cyclopropylethoxy)propan-2-ol
CID 106203926
butan-2-ol;2-methyloxirane
CID 161079441
4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane
CID 170568146
2-methyloxetane;propan-2-amine
CID 18626824
4-[(2-methyloxolan-3-yl)amino]butan-2-ol
CID 75525204
(2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol
CID 97358229
4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane
CID 167598458
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane
CID 104563941

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol?
The IUPAC name of 4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol (CID 13464119) is 4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol.
What is the SMILES notation for 4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol?
The canonical SMILES for 4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol is CC(O)CCOCCC1OCCC(C)O1.
What is the InChIKey of 4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol?
The InChIKey is VKJQXMRWMGHJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-9(12)3-6-13-7-5-11-14-8-4-10(2)15-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol?
4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol has a molecular weight of 218.29 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol is sourced from PubChem (CID 13464119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).