5,5-diethyl-2-methyloxolan-3-ol

C9H18O2 — CID 23195

IUPAC5,5-diethyl-2-methyloxolan-3-ol
SMILESCCC1(CC)CC(O)C(C)O1
InChIInChI=1S/C9H18O2/c1-4-9(5-2)6-8(10)7(3)11-9/h7-8,10H,4-6H2,1-3H3
InChIKeyURLNHEUJWAZINR-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.71
Rot. Bonds2

About 5,5-diethyl-2-methyloxolan-3-ol

5,5-diethyl-2-methyloxolan-3-ol (PubChem CID 23195) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 5,5-diethyl-2-methyloxolan-3-ol.

Molecular Properties

Compound Name5,5-diethyl-2-methyloxolan-3-ol
PubChem CID23195
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name5,5-diethyl-2-methyloxolan-3-ol
SMILESCCC1(CC)CC(O)C(C)O1
InChIInChI=1S/C9H18O2/c1-4-9(5-2)6-8(10)7(3)11-9/h7-8,10H,4-6H2,1-3H3
InChIKeyURLNHEUJWAZINR-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-methyloxolan-3-ol?
The IUPAC name of 5,5-diethyl-2-methyloxolan-3-ol (CID 23195) is 5,5-diethyl-2-methyloxolan-3-ol.
What is the SMILES notation for 5,5-diethyl-2-methyloxolan-3-ol?
The canonical SMILES for 5,5-diethyl-2-methyloxolan-3-ol is CCC1(CC)CC(O)C(C)O1.
What is the InChIKey of 5,5-diethyl-2-methyloxolan-3-ol?
The InChIKey is URLNHEUJWAZINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-9(5-2)6-8(10)7(3)11-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 5,5-diethyl-2-methyloxolan-3-ol?
5,5-diethyl-2-methyloxolan-3-ol has a molecular weight of 158.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-methyloxolan-3-ol is sourced from PubChem (CID 23195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).