[(2S,6R)-2,6-dimethyloxan-4-yl]methanol

C8H16O2 — CID 67078164

IUPAC[(2S,6R)-2,6-dimethyloxan-4-yl]methanol
SMILESC[C@@H]1CC(CO)C[C@H](C)O1
InChIInChI=1S/C8H16O2/c1-6-3-8(5-9)4-7(2)10-6/h6-9H,3-5H2,1-2H3/t6-,7+,8?
InChIKeyKHFIZKRUGALHGI-DHBOJHSNSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds1

About [(2S,6R)-2,6-dimethyloxan-4-yl]methanol

[(2S,6R)-2,6-dimethyloxan-4-yl]methanol (PubChem CID 67078164) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethyloxan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethyloxan-4-yl]methanol
PubChem CID67078164
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name[(2S,6R)-2,6-dimethyloxan-4-yl]methanol
SMILESC[C@@H]1CC(CO)C[C@H](C)O1
InChIInChI=1S/C8H16O2/c1-6-3-8(5-9)4-7(2)10-6/h6-9H,3-5H2,1-2H3/t6-,7+,8?
InChIKeyKHFIZKRUGALHGI-DHBOJHSNSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethyloxan-4-yl]methanol?
The IUPAC name of [(2S,6R)-2,6-dimethyloxan-4-yl]methanol (CID 67078164) is [(2S,6R)-2,6-dimethyloxan-4-yl]methanol.
What is the SMILES notation for [(2S,6R)-2,6-dimethyloxan-4-yl]methanol?
The canonical SMILES for [(2S,6R)-2,6-dimethyloxan-4-yl]methanol is C[C@@H]1CC(CO)C[C@H](C)O1.
What is the InChIKey of [(2S,6R)-2,6-dimethyloxan-4-yl]methanol?
The InChIKey is KHFIZKRUGALHGI-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-3-8(5-9)4-7(2)10-6/h6-9H,3-5H2,1-2H3/t6-,7+,8?.
What are the key properties of [(2S,6R)-2,6-dimethyloxan-4-yl]methanol?
[(2S,6R)-2,6-dimethyloxan-4-yl]methanol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethyloxan-4-yl]methanol is sourced from PubChem (CID 67078164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).