(2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol

C8H16O3 — CID 70594997

IUPAC(2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol
SMILESCC[C@H]1OC[C@@H](O)[C@@H](CC)O1
InChIInChI=1S/C8H16O3/c1-3-7-6(9)5-10-8(4-2)11-7/h6-9H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyZSMUJLQUKUVZSG-PRJMDXOYSA-N
MW160.21 g/mol
LogP0.91
Rot. Bonds2

About (2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol

(2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol (PubChem CID 70594997) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name(2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol
PubChem CID70594997
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol
SMILESCC[C@H]1OC[C@@H](O)[C@@H](CC)O1
InChIInChI=1S/C8H16O3/c1-3-7-6(9)5-10-8(4-2)11-7/h6-9H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyZSMUJLQUKUVZSG-PRJMDXOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol?
The IUPAC name of (2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol (CID 70594997) is (2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol.
What is the SMILES notation for (2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol?
The canonical SMILES for (2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol is CC[C@H]1OC[C@@H](O)[C@@H](CC)O1.
What is the InChIKey of (2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol?
The InChIKey is ZSMUJLQUKUVZSG-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-7-6(9)5-10-8(4-2)11-7/h6-9H,3-5H2,1-2H3/t6-,7-,8+/m1/s1.
What are the key properties of (2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol?
(2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol has a molecular weight of 160.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol is sourced from PubChem (CID 70594997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).