[5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate

C13H24O5 — CID 20683523

IUPAC[5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate
SMILESCCC1CC(CC(O)CC(C)OC(C)=O)OCO1
InChIInChI=1S/C13H24O5/c1-4-12-7-13(17-8-16-12)6-11(15)5-9(2)18-10(3)14/h9,11-13,15H,4-8H2,1-3H3
InChIKeyDCFBAACWVVKPOY-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.62
Rot. Bonds6

About [5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate

[5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate (PubChem CID 20683523) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is [5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate.

Molecular Properties

Compound Name[5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate
PubChem CID20683523
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name[5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate
SMILESCCC1CC(CC(O)CC(C)OC(C)=O)OCO1
InChIInChI=1S/C13H24O5/c1-4-12-7-13(17-8-16-12)6-11(15)5-9(2)18-10(3)14/h9,11-13,15H,4-8H2,1-3H3
InChIKeyDCFBAACWVVKPOY-UHFFFAOYSA-N
XLogP1.62
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate;methane
CID 158241686
[5-[6-[(6-ethyl-2-propyl-1,3-dioxan-4-yl)methyl]-2-pentyl-1,3-dioxan-4-yl]-4-hydroxypentan-2-yl] acetate
CID 23404585
4,6-dihydroxyheptan-2-yl acetate
CID 118653103
4-hydroxyoctan-2-yl acetate
CID 21337080
[(2R,4S)-4-hydroxypentan-2-yl] acetate
CID 12014618
4-acetyloxyhexan-2-yl acetate;butan-2-ol;4-ethyl-6-methyl-2-propyl-1,3-dioxane
CID 160642242
butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane
CID 160815637
4-hydroxypentan-2-yl acetate;methane
CID 161366769
4-ethyl-6-methyl-1,3-dioxane;formaldehyde;hexane-2,4-diol;hydron;hydrate
CID 158963070
4-ethyl-6-methyl-1,3-dioxane;formaldehyde;hexane-2,4-diol;hydron;methane;hydrate
CID 161259671
[1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate
CID 54542667
4-methyl-1-(oxiran-2-yl)pentan-2-ol
CID 102308160

Frequently Asked Questions

What is the IUPAC name of [5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate?
The IUPAC name of [5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate (CID 20683523) is [5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate.
What is the SMILES notation for [5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate?
The canonical SMILES for [5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate is CCC1CC(CC(O)CC(C)OC(C)=O)OCO1.
What is the InChIKey of [5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate?
The InChIKey is DCFBAACWVVKPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-4-12-7-13(17-8-16-12)6-11(15)5-9(2)18-10(3)14/h9,11-13,15H,4-8H2,1-3H3.
What are the key properties of [5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate?
[5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate has a molecular weight of 260.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate is sourced from PubChem (CID 20683523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).