5-methoxy-2,2-dimethyl-3-propyloxolane

C10H20O2 — CID 164988126

IUPAC5-methoxy-2,2-dimethyl-3-propyloxolane
SMILESCCCC1CC(OC)OC1(C)C
InChIInChI=1S/C10H20O2/c1-5-6-8-7-9(11-4)12-10(8,2)3/h8-9H,5-7H2,1-4H3
InChIKeyGLPNRBUFTGPLII-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds3

About 5-methoxy-2,2-dimethyl-3-propyloxolane

5-methoxy-2,2-dimethyl-3-propyloxolane (PubChem CID 164988126) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-methoxy-2,2-dimethyl-3-propyloxolane.

Molecular Properties

Compound Name5-methoxy-2,2-dimethyl-3-propyloxolane
PubChem CID164988126
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5-methoxy-2,2-dimethyl-3-propyloxolane
SMILESCCCC1CC(OC)OC1(C)C
InChIInChI=1S/C10H20O2/c1-5-6-8-7-9(11-4)12-10(8,2)3/h8-9H,5-7H2,1-4H3
InChIKeyGLPNRBUFTGPLII-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2-dimethyl-3-propyloxolane?
The IUPAC name of 5-methoxy-2,2-dimethyl-3-propyloxolane (CID 164988126) is 5-methoxy-2,2-dimethyl-3-propyloxolane.
What is the SMILES notation for 5-methoxy-2,2-dimethyl-3-propyloxolane?
The canonical SMILES for 5-methoxy-2,2-dimethyl-3-propyloxolane is CCCC1CC(OC)OC1(C)C.
What is the InChIKey of 5-methoxy-2,2-dimethyl-3-propyloxolane?
The InChIKey is GLPNRBUFTGPLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-6-8-7-9(11-4)12-10(8,2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-methoxy-2,2-dimethyl-3-propyloxolane?
5-methoxy-2,2-dimethyl-3-propyloxolane has a molecular weight of 172.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2-dimethyl-3-propyloxolane is sourced from PubChem (CID 164988126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).