2-(5,6-dimethyloxan-2-yl)ethanol

C9H18O2 — CID 59772049

IUPAC2-(5,6-dimethyloxan-2-yl)ethanol
SMILESCC1CCC(CCO)OC1C
InChIInChI=1S/C9H18O2/c1-7-3-4-9(5-6-10)11-8(7)2/h7-10H,3-6H2,1-2H3
InChIKeyUSCJDVATTDCSQE-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds2

About 2-(5,6-dimethyloxan-2-yl)ethanol

2-(5,6-dimethyloxan-2-yl)ethanol (PubChem CID 59772049) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(5,6-dimethyloxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(5,6-dimethyloxan-2-yl)ethanol
PubChem CID59772049
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(5,6-dimethyloxan-2-yl)ethanol
SMILESCC1CCC(CCO)OC1C
InChIInChI=1S/C9H18O2/c1-7-3-4-9(5-6-10)11-8(7)2/h7-10H,3-6H2,1-2H3
InChIKeyUSCJDVATTDCSQE-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyloxan-2-yl)ethanol?
The IUPAC name of 2-(5,6-dimethyloxan-2-yl)ethanol (CID 59772049) is 2-(5,6-dimethyloxan-2-yl)ethanol.
What is the SMILES notation for 2-(5,6-dimethyloxan-2-yl)ethanol?
The canonical SMILES for 2-(5,6-dimethyloxan-2-yl)ethanol is CC1CCC(CCO)OC1C.
What is the InChIKey of 2-(5,6-dimethyloxan-2-yl)ethanol?
The InChIKey is USCJDVATTDCSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7-3-4-9(5-6-10)11-8(7)2/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-(5,6-dimethyloxan-2-yl)ethanol?
2-(5,6-dimethyloxan-2-yl)ethanol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyloxan-2-yl)ethanol is sourced from PubChem (CID 59772049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).