(2,5-diethyloxan-2-yl)methanol

C10H20O2 — CID 3020015

IUPAC(2,5-diethyloxan-2-yl)methanol
SMILESCCC1CCC(CC)(CO)OC1
InChIInChI=1S/C10H20O2/c1-3-9-5-6-10(4-2,8-11)12-7-9/h9,11H,3-8H2,1-2H3
InChIKeyJNABADRJMWPQMU-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds3

About (2,5-diethyloxan-2-yl)methanol

(2,5-diethyloxan-2-yl)methanol (PubChem CID 3020015) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2,5-diethyloxan-2-yl)methanol.

Molecular Properties

Compound Name(2,5-diethyloxan-2-yl)methanol
PubChem CID3020015
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2,5-diethyloxan-2-yl)methanol
SMILESCCC1CCC(CC)(CO)OC1
InChIInChI=1S/C10H20O2/c1-3-9-5-6-10(4-2,8-11)12-7-9/h9,11H,3-8H2,1-2H3
InChIKeyJNABADRJMWPQMU-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-diethyloxan-2-yl)methanol?
The IUPAC name of (2,5-diethyloxan-2-yl)methanol (CID 3020015) is (2,5-diethyloxan-2-yl)methanol.
What is the SMILES notation for (2,5-diethyloxan-2-yl)methanol?
The canonical SMILES for (2,5-diethyloxan-2-yl)methanol is CCC1CCC(CC)(CO)OC1.
What is the InChIKey of (2,5-diethyloxan-2-yl)methanol?
The InChIKey is JNABADRJMWPQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-9-5-6-10(4-2,8-11)12-7-9/h9,11H,3-8H2,1-2H3.
What are the key properties of (2,5-diethyloxan-2-yl)methanol?
(2,5-diethyloxan-2-yl)methanol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethyloxan-2-yl)methanol is sourced from PubChem (CID 3020015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).