3-methyl-2-propyloxolane

C8H16O — CID 18965607

IUPAC3-methyl-2-propyloxolane
SMILESCCCC1OCCC1C
InChIInChI=1S/C8H16O/c1-3-4-8-7(2)5-6-9-8/h7-8H,3-6H2,1-2H3
InChIKeyLKHDKKLTMNVTSU-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.21
Rot. Bonds2

About 3-methyl-2-propyloxolane

3-methyl-2-propyloxolane (PubChem CID 18965607) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 3-methyl-2-propyloxolane.

Molecular Properties

Compound Name3-methyl-2-propyloxolane
PubChem CID18965607
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name3-methyl-2-propyloxolane
SMILESCCCC1OCCC1C
InChIInChI=1S/C8H16O/c1-3-4-8-7(2)5-6-9-8/h7-8H,3-6H2,1-2H3
InChIKeyLKHDKKLTMNVTSU-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propyloxolane?
The IUPAC name of 3-methyl-2-propyloxolane (CID 18965607) is 3-methyl-2-propyloxolane.
What is the SMILES notation for 3-methyl-2-propyloxolane?
The canonical SMILES for 3-methyl-2-propyloxolane is CCCC1OCCC1C.
What is the InChIKey of 3-methyl-2-propyloxolane?
The InChIKey is LKHDKKLTMNVTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-4-8-7(2)5-6-9-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-methyl-2-propyloxolane?
3-methyl-2-propyloxolane has a molecular weight of 128.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propyloxolane is sourced from PubChem (CID 18965607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).