[(3R,4S)-4-methyloxolan-3-yl]methanol

C6H12O2 — CID 95165244

IUPAC[(3R,4S)-4-methyloxolan-3-yl]methanol
SMILESC[C@@H]1COC[C@H]1CO
InChIInChI=1S/C6H12O2/c1-5-3-8-4-6(5)2-7/h5-7H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyQPINGVLALQINHU-PHDIDXHHSA-N
MW116.16 g/mol
LogP0.26
Rot. Bonds1

About [(3R,4S)-4-methyloxolan-3-yl]methanol

[(3R,4S)-4-methyloxolan-3-yl]methanol (PubChem CID 95165244) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is [(3R,4S)-4-methyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-methyloxolan-3-yl]methanol
PubChem CID95165244
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name[(3R,4S)-4-methyloxolan-3-yl]methanol
SMILESC[C@@H]1COC[C@H]1CO
InChIInChI=1S/C6H12O2/c1-5-3-8-4-6(5)2-7/h5-7H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyQPINGVLALQINHU-PHDIDXHHSA-N
XLogP0.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3R,4S)-4-methyloxolan-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-methyloxolan-3-yl]methanol?
The IUPAC name of [(3R,4S)-4-methyloxolan-3-yl]methanol (CID 95165244) is [(3R,4S)-4-methyloxolan-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-methyloxolan-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-methyloxolan-3-yl]methanol is C[C@@H]1COC[C@H]1CO.
What is the InChIKey of [(3R,4S)-4-methyloxolan-3-yl]methanol?
The InChIKey is QPINGVLALQINHU-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-3-8-4-6(5)2-7/h5-7H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of [(3R,4S)-4-methyloxolan-3-yl]methanol?
[(3R,4S)-4-methyloxolan-3-yl]methanol has a molecular weight of 116.16 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-methyloxolan-3-yl]methanol is sourced from PubChem (CID 95165244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).