(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane

C8H16O2 — CID 100965726

IUPAC(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane
SMILESC[C@@H]1OC(C)(C)OC[C@@H]1C
InChIInChI=1S/C8H16O2/c1-6-5-9-8(3,4)10-7(6)2/h6-7H,5H2,1-4H3/t6-,7-/m0/s1
InChIKeyDKJYNTXGJQOUNL-BQBZGAKWSA-N
MW144.21 g/mol
LogP1.79
Rot. Bonds

About (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane

(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane (PubChem CID 100965726) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane.

Molecular Properties

Compound Name(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane
PubChem CID100965726
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane
SMILESC[C@@H]1OC(C)(C)OC[C@@H]1C
InChIInChI=1S/C8H16O2/c1-6-5-9-8(3,4)10-7(6)2/h6-7H,5H2,1-4H3/t6-,7-/m0/s1
InChIKeyDKJYNTXGJQOUNL-BQBZGAKWSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,6S)-2,2,5-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxane
CID 11003579
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-3-methyloxiran-2-yl]-1,3-dioxolane
CID 102250343
(2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol
CID 10681760
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734
2,2-dimethyl-1,3-dioxolan-4-ol;methanol
CID 70486322
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
(1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane
CID 102157576
(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 123766397
[2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate
CID 538771
(4S)-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-one
CID 13414271
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
(4R)-N,N,2,2-tetramethyl-1,3-dioxolan-4-amine
CID 175557801

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane?
The IUPAC name of (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane (CID 100965726) is (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane.
What is the SMILES notation for (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane?
The canonical SMILES for (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane is C[C@@H]1OC(C)(C)OC[C@@H]1C.
What is the InChIKey of (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane?
The InChIKey is DKJYNTXGJQOUNL-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-5-9-8(3,4)10-7(6)2/h6-7H,5H2,1-4H3/t6-,7-/m0/s1.
What are the key properties of (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane?
(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane has a molecular weight of 144.21 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane is sourced from PubChem (CID 100965726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).