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

C11H22O4 — CID 13464120

IUPAC3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol
SMILESCC(CCO)OCCC1OCCC(C)O1
InChIInChI=1S/C11H22O4/c1-9(3-6-12)13-8-5-11-14-7-4-10(2)15-11/h9-12H,3-8H2,1-2H3
InChIKeyZIBQVYUNISTMFX-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.32
Rot. Bonds6

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

3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol (PubChem CID 13464120) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol.

Molecular Properties

Compound Name3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol
PubChem CID13464120
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol
SMILESCC(CCO)OCCC1OCCC(C)O1
InChIInChI=1S/C11H22O4/c1-9(3-6-12)13-8-5-11-14-7-4-10(2)15-11/h9-12H,3-8H2,1-2H3
InChIKeyZIBQVYUNISTMFX-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

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Related Compounds

4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol
CID 13464119
(2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane
CID 13183691
(3S)-3-(2-methylbutoxy)butan-1-ol
CID 87892017
3-(2-methylbutoxy)butan-1-ol
CID 87892018
3-(5-methyloxolan-2-yl)butan-1-ol
CID 130144173
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
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane
CID 170568146
3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol
CID 89181158
3-[2-(propan-2-ylamino)ethoxy]butan-1-ol
CID 155331206
3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol
CID 154524660
2-methyloxetane;propan-2-amine
CID 18626824

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol?
The IUPAC name of 3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol (CID 13464120) is 3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol.
What is the SMILES notation for 3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol?
The canonical SMILES for 3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol is CC(CCO)OCCC1OCCC(C)O1.
What is the InChIKey of 3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol?
The InChIKey is ZIBQVYUNISTMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-9(3-6-12)13-8-5-11-14-7-4-10(2)15-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol?
3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-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 3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol is sourced from PubChem (CID 13464120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).