(2R,4R)-2-methyloxan-4-ol

C6H12O2 — CID 12588410

IUPAC(2R,4R)-2-methyloxan-4-ol
SMILESC[C@@H]1C[C@H](O)CCO1
InChIInChI=1S/C6H12O2/c1-5-4-6(7)2-3-8-5/h5-7H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyZHPKAPJNEIKPGV-PHDIDXHHSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds

About (2R,4R)-2-methyloxan-4-ol

(2R,4R)-2-methyloxan-4-ol (PubChem CID 12588410) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2R,4R)-2-methyloxan-4-ol.

Molecular Properties

Compound Name(2R,4R)-2-methyloxan-4-ol
PubChem CID12588410
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2R,4R)-2-methyloxan-4-ol
SMILESC[C@@H]1C[C@H](O)CCO1
InChIInChI=1S/C6H12O2/c1-5-4-6(7)2-3-8-5/h5-7H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyZHPKAPJNEIKPGV-PHDIDXHHSA-N
XLogP0.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyloxan-4-ol?
The IUPAC name of (2R,4R)-2-methyloxan-4-ol (CID 12588410) is (2R,4R)-2-methyloxan-4-ol.
What is the SMILES notation for (2R,4R)-2-methyloxan-4-ol?
The canonical SMILES for (2R,4R)-2-methyloxan-4-ol is C[C@@H]1C[C@H](O)CCO1.
What is the InChIKey of (2R,4R)-2-methyloxan-4-ol?
The InChIKey is ZHPKAPJNEIKPGV-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-4-6(7)2-3-8-5/h5-7H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (2R,4R)-2-methyloxan-4-ol?
(2R,4R)-2-methyloxan-4-ol has a molecular weight of 116.16 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyloxan-4-ol is sourced from PubChem (CID 12588410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).