5-ethyl-2-methyl-5-propyloxolan-3-ol

C10H20O2 — CID 23197

IUPAC5-ethyl-2-methyl-5-propyloxolan-3-ol
SMILESCCCC1(CC)CC(O)C(C)O1
InChIInChI=1S/C10H20O2/c1-4-6-10(5-2)7-9(11)8(3)12-10/h8-9,11H,4-7H2,1-3H3
InChIKeyFTHMNSPIIMRDSF-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.11
Rot. Bonds3

About 5-ethyl-2-methyl-5-propyloxolan-3-ol

5-ethyl-2-methyl-5-propyloxolan-3-ol (PubChem CID 23197) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-ethyl-2-methyl-5-propyloxolan-3-ol.

Molecular Properties

Compound Name5-ethyl-2-methyl-5-propyloxolan-3-ol
PubChem CID23197
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5-ethyl-2-methyl-5-propyloxolan-3-ol
SMILESCCCC1(CC)CC(O)C(C)O1
InChIInChI=1S/C10H20O2/c1-4-6-10(5-2)7-9(11)8(3)12-10/h8-9,11H,4-7H2,1-3H3
InChIKeyFTHMNSPIIMRDSF-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-5-propyloxolan-3-ol?
The IUPAC name of 5-ethyl-2-methyl-5-propyloxolan-3-ol (CID 23197) is 5-ethyl-2-methyl-5-propyloxolan-3-ol.
What is the SMILES notation for 5-ethyl-2-methyl-5-propyloxolan-3-ol?
The canonical SMILES for 5-ethyl-2-methyl-5-propyloxolan-3-ol is CCCC1(CC)CC(O)C(C)O1.
What is the InChIKey of 5-ethyl-2-methyl-5-propyloxolan-3-ol?
The InChIKey is FTHMNSPIIMRDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-6-10(5-2)7-9(11)8(3)12-10/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 5-ethyl-2-methyl-5-propyloxolan-3-ol?
5-ethyl-2-methyl-5-propyloxolan-3-ol has a molecular weight of 172.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-5-propyloxolan-3-ol is sourced from PubChem (CID 23197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).