1-(2-methyloxan-4-yl)ethanol

C8H16O2 — CID 66439369

IUPAC1-(2-methyloxan-4-yl)ethanol
SMILESCC1CC(C(C)O)CCO1
InChIInChI=1S/C8H16O2/c1-6-5-8(7(2)9)3-4-10-6/h6-9H,3-5H2,1-2H3
InChIKeyCJTODTMIXYJPPD-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds1

About 1-(2-methyloxan-4-yl)ethanol

1-(2-methyloxan-4-yl)ethanol (PubChem CID 66439369) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-(2-methyloxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-methyloxan-4-yl)ethanol
PubChem CID66439369
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-(2-methyloxan-4-yl)ethanol
SMILESCC1CC(C(C)O)CCO1
InChIInChI=1S/C8H16O2/c1-6-5-8(7(2)9)3-4-10-6/h6-9H,3-5H2,1-2H3
InChIKeyCJTODTMIXYJPPD-UHFFFAOYSA-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

Analyze 1-(2-methyloxan-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-4-yl)ethanol?
The IUPAC name of 1-(2-methyloxan-4-yl)ethanol (CID 66439369) is 1-(2-methyloxan-4-yl)ethanol.
What is the SMILES notation for 1-(2-methyloxan-4-yl)ethanol?
The canonical SMILES for 1-(2-methyloxan-4-yl)ethanol is CC1CC(C(C)O)CCO1.
What is the InChIKey of 1-(2-methyloxan-4-yl)ethanol?
The InChIKey is CJTODTMIXYJPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-5-8(7(2)9)3-4-10-6/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-(2-methyloxan-4-yl)ethanol?
1-(2-methyloxan-4-yl)ethanol 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 1-(2-methyloxan-4-yl)ethanol is sourced from PubChem (CID 66439369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).