3-ethyl-5,5-dimethyloxolan-2-ol

C8H16O2 — CID 166173506

IUPAC3-ethyl-5,5-dimethyloxolan-2-ol
SMILESCCC1CC(C)(C)OC1O
InChIInChI=1S/C8H16O2/c1-4-6-5-8(2,3)10-7(6)9/h6-7,9H,4-5H2,1-3H3
InChIKeyPVSOUQXLZRDJAP-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.53
Rot. Bonds1

About 3-ethyl-5,5-dimethyloxolan-2-ol

3-ethyl-5,5-dimethyloxolan-2-ol (PubChem CID 166173506) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-ethyl-5,5-dimethyloxolan-2-ol.

Molecular Properties

Compound Name3-ethyl-5,5-dimethyloxolan-2-ol
PubChem CID166173506
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-ethyl-5,5-dimethyloxolan-2-ol
SMILESCCC1CC(C)(C)OC1O
InChIInChI=1S/C8H16O2/c1-4-6-5-8(2,3)10-7(6)9/h6-7,9H,4-5H2,1-3H3
InChIKeyPVSOUQXLZRDJAP-UHFFFAOYSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,5-dimethyloxolan-2-ol?
The IUPAC name of 3-ethyl-5,5-dimethyloxolan-2-ol (CID 166173506) is 3-ethyl-5,5-dimethyloxolan-2-ol.
What is the SMILES notation for 3-ethyl-5,5-dimethyloxolan-2-ol?
The canonical SMILES for 3-ethyl-5,5-dimethyloxolan-2-ol is CCC1CC(C)(C)OC1O.
What is the InChIKey of 3-ethyl-5,5-dimethyloxolan-2-ol?
The InChIKey is PVSOUQXLZRDJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-6-5-8(2,3)10-7(6)9/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-5,5-dimethyloxolan-2-ol?
3-ethyl-5,5-dimethyloxolan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,5-dimethyloxolan-2-ol is sourced from PubChem (CID 166173506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).