(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol

C7H14O3 — CID 137321200

IUPAC(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol
SMILESC[C@@H]1C[C@@H](O)OC(C)(C)O1
InChIInChI=1S/C7H14O3/c1-5-4-6(8)10-7(2,3)9-5/h5-6,8H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeyYZGBOJCVSXYSKT-RITPCOANSA-N
MW146.19 g/mol
LogP0.87
Rot. Bonds

About (4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol

(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol (PubChem CID 137321200) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol.

Molecular Properties

Compound Name(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol
PubChem CID137321200
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol
SMILESC[C@@H]1C[C@@H](O)OC(C)(C)O1
InChIInChI=1S/C7H14O3/c1-5-4-6(8)10-7(2,3)9-5/h5-6,8H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeyYZGBOJCVSXYSKT-RITPCOANSA-N
XLogP0.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol?
The IUPAC name of (4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol (CID 137321200) is (4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol.
What is the SMILES notation for (4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol?
The canonical SMILES for (4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol is C[C@@H]1C[C@@H](O)OC(C)(C)O1.
What is the InChIKey of (4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol?
The InChIKey is YZGBOJCVSXYSKT-RITPCOANSA-N. The full InChI is InChI=1S/C7H14O3/c1-5-4-6(8)10-7(2,3)9-5/h5-6,8H,4H2,1-3H3/t5-,6+/m1/s1.
What are the key properties of (4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol?
(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol has a molecular weight of 146.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-ol is sourced from PubChem (CID 137321200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).