2,5-dimethoxy-3-propan-2-yloxolane

C9H18O3 — CID 45096633

IUPAC2,5-dimethoxy-3-propan-2-yloxolane
SMILESCOC1CC(C(C)C)C(OC)O1
InChIInChI=1S/C9H18O3/c1-6(2)7-5-8(10-3)12-9(7)11-4/h6-9H,5H2,1-4H3
InChIKeySGCFRBQNKZYIPL-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.62
Rot. Bonds3

About 2,5-dimethoxy-3-propan-2-yloxolane

2,5-dimethoxy-3-propan-2-yloxolane (PubChem CID 45096633) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2,5-dimethoxy-3-propan-2-yloxolane.

Molecular Properties

Compound Name2,5-dimethoxy-3-propan-2-yloxolane
PubChem CID45096633
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2,5-dimethoxy-3-propan-2-yloxolane
SMILESCOC1CC(C(C)C)C(OC)O1
InChIInChI=1S/C9H18O3/c1-6(2)7-5-8(10-3)12-9(7)11-4/h6-9H,5H2,1-4H3
InChIKeySGCFRBQNKZYIPL-UHFFFAOYSA-N
XLogP1.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-3-propan-2-yloxolane?
The IUPAC name of 2,5-dimethoxy-3-propan-2-yloxolane (CID 45096633) is 2,5-dimethoxy-3-propan-2-yloxolane.
What is the SMILES notation for 2,5-dimethoxy-3-propan-2-yloxolane?
The canonical SMILES for 2,5-dimethoxy-3-propan-2-yloxolane is COC1CC(C(C)C)C(OC)O1.
What is the InChIKey of 2,5-dimethoxy-3-propan-2-yloxolane?
The InChIKey is SGCFRBQNKZYIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-6(2)7-5-8(10-3)12-9(7)11-4/h6-9H,5H2,1-4H3.
What are the key properties of 2,5-dimethoxy-3-propan-2-yloxolane?
2,5-dimethoxy-3-propan-2-yloxolane has a molecular weight of 174.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-3-propan-2-yloxolane is sourced from PubChem (CID 45096633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).