4,6-diethyloxan-2-ol

C9H18O2 — CID 90730118

IUPAC4,6-diethyloxan-2-ol
SMILESCCC1CC(O)OC(CC)C1
InChIInChI=1S/C9H18O2/c1-3-7-5-8(4-2)11-9(10)6-7/h7-10H,3-6H2,1-2H3
InChIKeyFIYCQYCTAOHHJK-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.92
Rot. Bonds2

About 4,6-diethyloxan-2-ol

4,6-diethyloxan-2-ol (PubChem CID 90730118) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4,6-diethyloxan-2-ol.

Molecular Properties

Compound Name4,6-diethyloxan-2-ol
PubChem CID90730118
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4,6-diethyloxan-2-ol
SMILESCCC1CC(O)OC(CC)C1
InChIInChI=1S/C9H18O2/c1-3-7-5-8(4-2)11-9(10)6-7/h7-10H,3-6H2,1-2H3
InChIKeyFIYCQYCTAOHHJK-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyloxan-2-ol?
The IUPAC name of 4,6-diethyloxan-2-ol (CID 90730118) is 4,6-diethyloxan-2-ol.
What is the SMILES notation for 4,6-diethyloxan-2-ol?
The canonical SMILES for 4,6-diethyloxan-2-ol is CCC1CC(O)OC(CC)C1.
What is the InChIKey of 4,6-diethyloxan-2-ol?
The InChIKey is FIYCQYCTAOHHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-7-5-8(4-2)11-9(10)6-7/h7-10H,3-6H2,1-2H3.
What are the key properties of 4,6-diethyloxan-2-ol?
4,6-diethyloxan-2-ol has a molecular weight of 158.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyloxan-2-ol is sourced from PubChem (CID 90730118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).