2-methoxy-2-methyl-4-propan-2-yloxolane

C9H18O2 — CID 142494975

IUPAC2-methoxy-2-methyl-4-propan-2-yloxolane
SMILESCOC1(C)CC(C(C)C)CO1
InChIInChI=1S/C9H18O2/c1-7(2)8-5-9(3,10-4)11-6-8/h7-8H,5-6H2,1-4H3
InChIKeyXQZCQMOFTTZIBT-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.04
Rot. Bonds2

About 2-methoxy-2-methyl-4-propan-2-yloxolane

2-methoxy-2-methyl-4-propan-2-yloxolane (PubChem CID 142494975) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-methoxy-2-methyl-4-propan-2-yloxolane.

Molecular Properties

Compound Name2-methoxy-2-methyl-4-propan-2-yloxolane
PubChem CID142494975
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-methoxy-2-methyl-4-propan-2-yloxolane
SMILESCOC1(C)CC(C(C)C)CO1
InChIInChI=1S/C9H18O2/c1-7(2)8-5-9(3,10-4)11-6-8/h7-8H,5-6H2,1-4H3
InChIKeyXQZCQMOFTTZIBT-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-4-propan-2-yloxolane?
The IUPAC name of 2-methoxy-2-methyl-4-propan-2-yloxolane (CID 142494975) is 2-methoxy-2-methyl-4-propan-2-yloxolane.
What is the SMILES notation for 2-methoxy-2-methyl-4-propan-2-yloxolane?
The canonical SMILES for 2-methoxy-2-methyl-4-propan-2-yloxolane is COC1(C)CC(C(C)C)CO1.
What is the InChIKey of 2-methoxy-2-methyl-4-propan-2-yloxolane?
The InChIKey is XQZCQMOFTTZIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(2)8-5-9(3,10-4)11-6-8/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-2-methyl-4-propan-2-yloxolane?
2-methoxy-2-methyl-4-propan-2-yloxolane has a molecular weight of 158.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-4-propan-2-yloxolane is sourced from PubChem (CID 142494975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).