2,4,6-trimethyloxan-4-ol

C8H16O2 — CID 18437323

IUPAC2,4,6-trimethyloxan-4-ol
SMILESCC1CC(C)(O)CC(C)O1
InChIInChI=1S/C8H16O2/c1-6-4-8(3,9)5-7(2)10-6/h6-7,9H,4-5H2,1-3H3
InChIKeyVXZIIJNJEJTEOZ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.32
Rot. Bonds

About 2,4,6-trimethyloxan-4-ol

2,4,6-trimethyloxan-4-ol (PubChem CID 18437323) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2,4,6-trimethyloxan-4-ol.

Molecular Properties

Compound Name2,4,6-trimethyloxan-4-ol
PubChem CID18437323
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2,4,6-trimethyloxan-4-ol
SMILESCC1CC(C)(O)CC(C)O1
InChIInChI=1S/C8H16O2/c1-6-4-8(3,9)5-7(2)10-6/h6-7,9H,4-5H2,1-3H3
InChIKeyVXZIIJNJEJTEOZ-UHFFFAOYSA-N
XLogP1.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyloxan-4-ol?
The IUPAC name of 2,4,6-trimethyloxan-4-ol (CID 18437323) is 2,4,6-trimethyloxan-4-ol.
What is the SMILES notation for 2,4,6-trimethyloxan-4-ol?
The canonical SMILES for 2,4,6-trimethyloxan-4-ol is CC1CC(C)(O)CC(C)O1.
What is the InChIKey of 2,4,6-trimethyloxan-4-ol?
The InChIKey is VXZIIJNJEJTEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-4-8(3,9)5-7(2)10-6/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 2,4,6-trimethyloxan-4-ol?
2,4,6-trimethyloxan-4-ol has a molecular weight of 144.21 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyloxan-4-ol is sourced from PubChem (CID 18437323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).