3-ethyloxan-2-ol

C7H14O2 — CID 71327932

IUPAC3-ethyloxan-2-ol
SMILESCCC1CCCOC1O
InChIInChI=1S/C7H14O2/c1-2-6-4-3-5-9-7(6)8/h6-8H,2-5H2,1H3
InChIKeyXYBMMNZISGSNFV-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.14
Rot. Bonds1

About 3-ethyloxan-2-ol

3-ethyloxan-2-ol (PubChem CID 71327932) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-ethyloxan-2-ol.

Molecular Properties

Compound Name3-ethyloxan-2-ol
PubChem CID71327932
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name3-ethyloxan-2-ol
SMILESCCC1CCCOC1O
InChIInChI=1S/C7H14O2/c1-2-6-4-3-5-9-7(6)8/h6-8H,2-5H2,1H3
InChIKeyXYBMMNZISGSNFV-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyloxan-2-ol?
The IUPAC name of 3-ethyloxan-2-ol (CID 71327932) is 3-ethyloxan-2-ol.
What is the SMILES notation for 3-ethyloxan-2-ol?
The canonical SMILES for 3-ethyloxan-2-ol is CCC1CCCOC1O.
What is the InChIKey of 3-ethyloxan-2-ol?
The InChIKey is XYBMMNZISGSNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-2-6-4-3-5-9-7(6)8/h6-8H,2-5H2,1H3.
What are the key properties of 3-ethyloxan-2-ol?
3-ethyloxan-2-ol has a molecular weight of 130.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloxan-2-ol is sourced from PubChem (CID 71327932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).