3-(1-methoxy-2,2-dimethylpropyl)oxolane

C10H20O2 — CID 167376242

IUPAC3-(1-methoxy-2,2-dimethylpropyl)oxolane
SMILESCOC(C1CCOC1)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-10(2,3)9(11-4)8-5-6-12-7-8/h8-9H,5-7H2,1-4H3
InChIKeyVIBNTIJRGPVQJH-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.08
Rot. Bonds2

About 3-(1-methoxy-2,2-dimethylpropyl)oxolane

3-(1-methoxy-2,2-dimethylpropyl)oxolane (PubChem CID 167376242) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(1-methoxy-2,2-dimethylpropyl)oxolane.

Molecular Properties

Compound Name3-(1-methoxy-2,2-dimethylpropyl)oxolane
PubChem CID167376242
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(1-methoxy-2,2-dimethylpropyl)oxolane
SMILESCOC(C1CCOC1)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-10(2,3)9(11-4)8-5-6-12-7-8/h8-9H,5-7H2,1-4H3
InChIKeyVIBNTIJRGPVQJH-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-2,2-dimethylpropyl)oxolane?
The IUPAC name of 3-(1-methoxy-2,2-dimethylpropyl)oxolane (CID 167376242) is 3-(1-methoxy-2,2-dimethylpropyl)oxolane.
What is the SMILES notation for 3-(1-methoxy-2,2-dimethylpropyl)oxolane?
The canonical SMILES for 3-(1-methoxy-2,2-dimethylpropyl)oxolane is COC(C1CCOC1)C(C)(C)C.
What is the InChIKey of 3-(1-methoxy-2,2-dimethylpropyl)oxolane?
The InChIKey is VIBNTIJRGPVQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2,3)9(11-4)8-5-6-12-7-8/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-(1-methoxy-2,2-dimethylpropyl)oxolane?
3-(1-methoxy-2,2-dimethylpropyl)oxolane has a molecular weight of 172.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-2,2-dimethylpropyl)oxolane is sourced from PubChem (CID 167376242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).