[(2R,5S)-5-methyloxolan-2-yl]methanol

C6H12O2 — CID 12659791

IUPAC[(2R,5S)-5-methyloxolan-2-yl]methanol
SMILESC[C@H]1CC[C@H](CO)O1
InChIInChI=1S/C6H12O2/c1-5-2-3-6(4-7)8-5/h5-7H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyPCZHHBOJPSQUNS-NTSWFWBYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds1

About [(2R,5S)-5-methyloxolan-2-yl]methanol

[(2R,5S)-5-methyloxolan-2-yl]methanol (PubChem CID 12659791) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is [(2R,5S)-5-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-5-methyloxolan-2-yl]methanol
PubChem CID12659791
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name[(2R,5S)-5-methyloxolan-2-yl]methanol
SMILESC[C@H]1CC[C@H](CO)O1
InChIInChI=1S/C6H12O2/c1-5-2-3-6(4-7)8-5/h5-7H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyPCZHHBOJPSQUNS-NTSWFWBYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-methyloxolan-2-yl]methanol?
The IUPAC name of [(2R,5S)-5-methyloxolan-2-yl]methanol (CID 12659791) is [(2R,5S)-5-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-5-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2R,5S)-5-methyloxolan-2-yl]methanol is C[C@H]1CC[C@H](CO)O1.
What is the InChIKey of [(2R,5S)-5-methyloxolan-2-yl]methanol?
The InChIKey is PCZHHBOJPSQUNS-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-2-3-6(4-7)8-5/h5-7H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of [(2R,5S)-5-methyloxolan-2-yl]methanol?
[(2R,5S)-5-methyloxolan-2-yl]methanol has a molecular weight of 116.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-methyloxolan-2-yl]methanol is sourced from PubChem (CID 12659791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).