(3-ethyloxan-3-yl)methanol

C8H16O2 — CID 66058393

IUPAC(3-ethyloxan-3-yl)methanol
SMILESCCC1(CO)CCCOC1
InChIInChI=1S/C8H16O2/c1-2-8(6-9)4-3-5-10-7-8/h9H,2-7H2,1H3
InChIKeyCMAZEAMPHICYRN-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.19
Rot. Bonds2

About (3-ethyloxan-3-yl)methanol

(3-ethyloxan-3-yl)methanol (PubChem CID 66058393) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (3-ethyloxan-3-yl)methanol.

Molecular Properties

Compound Name(3-ethyloxan-3-yl)methanol
PubChem CID66058393
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(3-ethyloxan-3-yl)methanol
SMILESCCC1(CO)CCCOC1
InChIInChI=1S/C8H16O2/c1-2-8(6-9)4-3-5-10-7-8/h9H,2-7H2,1H3
InChIKeyCMAZEAMPHICYRN-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-ethyloxan-3-yl)methanol 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 (3-ethyloxan-3-yl)methanol?
The IUPAC name of (3-ethyloxan-3-yl)methanol (CID 66058393) is (3-ethyloxan-3-yl)methanol.
What is the SMILES notation for (3-ethyloxan-3-yl)methanol?
The canonical SMILES for (3-ethyloxan-3-yl)methanol is CCC1(CO)CCCOC1.
What is the InChIKey of (3-ethyloxan-3-yl)methanol?
The InChIKey is CMAZEAMPHICYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-8(6-9)4-3-5-10-7-8/h9H,2-7H2,1H3.
What are the key properties of (3-ethyloxan-3-yl)methanol?
(3-ethyloxan-3-yl)methanol has a molecular weight of 144.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyloxan-3-yl)methanol is sourced from PubChem (CID 66058393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).