(3R,5S)-4-methyloxane-3,5-diol

C6H12O3 — CID 129236591

IUPAC(3R,5S)-4-methyloxane-3,5-diol
SMILESCC1[C@H](O)COC[C@@H]1O
InChIInChI=1S/C6H12O3/c1-4-5(7)2-9-3-6(4)8/h4-8H,2-3H2,1H3/t4?,5-,6+
InChIKeyLMHWVFGYHAEUHD-GOHHTPAQSA-N
MW132.16 g/mol
LogP-0.63
Rot. Bonds

About (3R,5S)-4-methyloxane-3,5-diol

(3R,5S)-4-methyloxane-3,5-diol (PubChem CID 129236591) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (3R,5S)-4-methyloxane-3,5-diol.

Molecular Properties

Compound Name(3R,5S)-4-methyloxane-3,5-diol
PubChem CID129236591
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(3R,5S)-4-methyloxane-3,5-diol
SMILESCC1[C@H](O)COC[C@@H]1O
InChIInChI=1S/C6H12O3/c1-4-5(7)2-9-3-6(4)8/h4-8H,2-3H2,1H3/t4?,5-,6+
InChIKeyLMHWVFGYHAEUHD-GOHHTPAQSA-N
XLogP-0.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-4-methyloxane-3,5-diol?
The IUPAC name of (3R,5S)-4-methyloxane-3,5-diol (CID 129236591) is (3R,5S)-4-methyloxane-3,5-diol.
What is the SMILES notation for (3R,5S)-4-methyloxane-3,5-diol?
The canonical SMILES for (3R,5S)-4-methyloxane-3,5-diol is CC1[C@H](O)COC[C@@H]1O.
What is the InChIKey of (3R,5S)-4-methyloxane-3,5-diol?
The InChIKey is LMHWVFGYHAEUHD-GOHHTPAQSA-N. The full InChI is InChI=1S/C6H12O3/c1-4-5(7)2-9-3-6(4)8/h4-8H,2-3H2,1H3/t4?,5-,6+.
What are the key properties of (3R,5S)-4-methyloxane-3,5-diol?
(3R,5S)-4-methyloxane-3,5-diol has a molecular weight of 132.16 g/mol, XLogP of -0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-4-methyloxane-3,5-diol is sourced from PubChem (CID 129236591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).