(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

C19H36O4 — CID 57409305

IUPAC(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
SMILESCC[C@@H]1C[C@@H](C[C@H]2C[C@H](C(C)(C)C)OC(C)(C)O2)OC(C)(C)O1
InChIInChI=1S/C19H36O4/c1-9-13-10-14(21-18(5,6)20-13)11-15-12-16(17(2,3)4)23-19(7,8)22-15/h13-16H,9-12H2,1-8H3/t13-,14+,15+,16-/m1/s1
InChIKeyQMAZGESTIFIKSM-FXUDXRNXSA-N
MW328.49 g/mol
LogP4.65
Rot. Bonds3

About (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

(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 (PubChem CID 57409305) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID57409305
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name(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
SMILESCC[C@@H]1C[C@@H](C[C@H]2C[C@H](C(C)(C)C)OC(C)(C)O2)OC(C)(C)O1
InChIInChI=1S/C19H36O4/c1-9-13-10-14(21-18(5,6)20-13)11-15-12-16(17(2,3)4)23-19(7,8)22-15/h13-16H,9-12H2,1-8H3/t13-,14+,15+,16-/m1/s1
InChIKeyQMAZGESTIFIKSM-FXUDXRNXSA-N
XLogP4.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
CID 18716206
(4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane
CID 59873114
4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane
CID 152925484
(4S,6S)-4-[[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-[[(4S,6S)-6-[[(4S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane
CID 11585308
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
[(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
2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid
CID 175091261
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-2,2-dimethyl-6-phenyl-1,3-dioxane
CID 10083371
tris(4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane);tris(4-tert-butyl-2,2,6-trimethyl-1,3-dioxane)
CID 159534354

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@@H]1C[C@@H](C[C@H]2C[C@H](C(C)(C)C)OC(C)(C)O2)OC(C)(C)O1.
What is the InChIKey of (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?
The InChIKey is QMAZGESTIFIKSM-FXUDXRNXSA-N. The full InChI is InChI=1S/C19H36O4/c1-9-13-10-14(21-18(5,6)20-13)11-15-12-16(17(2,3)4)23-19(7,8)22-15/h13-16H,9-12H2,1-8H3/t13-,14+,15+,16-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 328.49 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 57409305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).