(4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane

C13H26O2 — CID 59873114

IUPAC(4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane
SMILESCC[C@H]1C[C@@H](CCC(C)C)OC(C)(C)O1
InChIInChI=1S/C13H26O2/c1-6-11-9-12(8-7-10(2)3)15-13(4,5)14-11/h10-12H,6-9H2,1-5H3/t11-,12+/m0/s1
InChIKeyGLEOMOVWDVQQAG-NWDGAFQWSA-N
MW214.35 g/mol
LogP3.74
Rot. Bonds4

About (4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane

(4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane (PubChem CID 59873114) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane.

Molecular Properties

Compound Name(4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane
PubChem CID59873114
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane
SMILESCC[C@H]1C[C@@H](CCC(C)C)OC(C)(C)O1
InChIInChI=1S/C13H26O2/c1-6-11-9-12(8-7-10(2)3)15-13(4,5)14-11/h10-12H,6-9H2,1-5H3/t11-,12+/m0/s1
InChIKeyGLEOMOVWDVQQAG-NWDGAFQWSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane 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

actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
CID 18716206
(3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane
CID 59051060
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
(4R,6S)-4-tert-butyl-6-[[(4S,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane
CID 57409305
3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane
CID 57050323
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
(4S,6S)-6-ethyl-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 59093862
(4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane
CID 102061144
3-[(4R,6S)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]propan-1-ol
CID 134858700
2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane
CID 123420159
[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]methanamine
CID 58646740

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane?
The IUPAC name of (4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane (CID 59873114) is (4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane.
What is the SMILES notation for (4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane?
The canonical SMILES for (4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane is CC[C@H]1C[C@@H](CCC(C)C)OC(C)(C)O1.
What is the InChIKey of (4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane?
The InChIKey is GLEOMOVWDVQQAG-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H26O2/c1-6-11-9-12(8-7-10(2)3)15-13(4,5)14-11/h10-12H,6-9H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of (4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane?
(4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane has a molecular weight of 214.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane is sourced from PubChem (CID 59873114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).