(2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol

C8H16O3 — CID 89169125

IUPAC(2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol
SMILESCO[C@]1(C)C[C@@H](O)[C@H](C)CO1
InChIInChI=1S/C8H16O3/c1-6-5-11-8(2,10-3)4-7(6)9/h6-7,9H,4-5H2,1-3H3/t6-,7-,8+/m1/s1
InChIKeyGVDRPQHAKKCZKY-PRJMDXOYSA-N
MW160.21 g/mol
LogP0.77
Rot. Bonds1

About (2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol

(2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol (PubChem CID 89169125) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol.

Molecular Properties

Compound Name(2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol
PubChem CID89169125
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol
SMILESCO[C@]1(C)C[C@@H](O)[C@H](C)CO1
InChIInChI=1S/C8H16O3/c1-6-5-11-8(2,10-3)4-7(6)9/h6-7,9H,4-5H2,1-3H3/t6-,7-,8+/m1/s1
InChIKeyGVDRPQHAKKCZKY-PRJMDXOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.77
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-methoxy-2,5-dimethyloxan-4-ol?
The IUPAC name of (2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol (CID 89169125) is (2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol.
What is the SMILES notation for (2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol?
The canonical SMILES for (2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol is CO[C@]1(C)C[C@@H](O)[C@H](C)CO1.
What is the InChIKey of (2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol?
The InChIKey is GVDRPQHAKKCZKY-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6-5-11-8(2,10-3)4-7(6)9/h6-7,9H,4-5H2,1-3H3/t6-,7-,8+/m1/s1.
What are the key properties of (2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol?
(2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol has a molecular weight of 160.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol is sourced from PubChem (CID 89169125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).