4-methoxy-4-methyl-2-propyloxane

C10H20O2 — CID 22162649

IUPAC4-methoxy-4-methyl-2-propyloxane
SMILESCCCC1CC(C)(OC)CCO1
InChIInChI=1S/C10H20O2/c1-4-5-9-8-10(2,11-3)6-7-12-9/h9H,4-8H2,1-3H3
InChIKeyBRSDECPMDZVVHV-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds3

About 4-methoxy-4-methyl-2-propyloxane

4-methoxy-4-methyl-2-propyloxane (PubChem CID 22162649) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-propyloxane.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-propyloxane
PubChem CID22162649
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-methoxy-4-methyl-2-propyloxane
SMILESCCCC1CC(C)(OC)CCO1
InChIInChI=1S/C10H20O2/c1-4-5-9-8-10(2,11-3)6-7-12-9/h9H,4-8H2,1-3H3
InChIKeyBRSDECPMDZVVHV-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-propyloxane?
The IUPAC name of 4-methoxy-4-methyl-2-propyloxane (CID 22162649) is 4-methoxy-4-methyl-2-propyloxane.
What is the SMILES notation for 4-methoxy-4-methyl-2-propyloxane?
The canonical SMILES for 4-methoxy-4-methyl-2-propyloxane is CCCC1CC(C)(OC)CCO1.
What is the InChIKey of 4-methoxy-4-methyl-2-propyloxane?
The InChIKey is BRSDECPMDZVVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-9-8-10(2,11-3)6-7-12-9/h9H,4-8H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-2-propyloxane?
4-methoxy-4-methyl-2-propyloxane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-propyloxane is sourced from PubChem (CID 22162649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).