(4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane

C9H18O2 — CID 135353779

IUPAC(4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane
SMILESCC[C@H]1OC(C)(C)OC[C@H]1C
InChIInChI=1S/C9H18O2/c1-5-8-7(2)6-10-9(3,4)11-8/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyDAGVUUWZVMSKOY-HTQZYQBOSA-N
MW158.24 g/mol
LogP2.18
Rot. Bonds1

About (4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane

(4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane (PubChem CID 135353779) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane
PubChem CID135353779
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane
SMILESCC[C@H]1OC(C)(C)OC[C@H]1C
InChIInChI=1S/C9H18O2/c1-5-8-7(2)6-10-9(3,4)11-8/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyDAGVUUWZVMSKOY-HTQZYQBOSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane?
The IUPAC name of (4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane (CID 135353779) is (4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane.
What is the SMILES notation for (4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane?
The canonical SMILES for (4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane is CC[C@H]1OC(C)(C)OC[C@H]1C.
What is the InChIKey of (4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane?
The InChIKey is DAGVUUWZVMSKOY-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-8-7(2)6-10-9(3,4)11-8/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of (4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane?
(4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane has a molecular weight of 158.24 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane is sourced from PubChem (CID 135353779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).