2-propyloxolane

C7H14O — CID 551240

IUPAC2-propyloxolane
SMILESCCCC1CCCO1
InChIInChI=1S/C7H14O/c1-2-4-7-5-3-6-8-7/h7H,2-6H2,1H3
InChIKeyDTGZORBDGLEVNY-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.97
Rot. Bonds2

About 2-propyloxolane

2-propyloxolane (PubChem CID 551240) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-propyloxolane.

Molecular Properties

Compound Name2-propyloxolane
PubChem CID551240
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-propyloxolane
SMILESCCCC1CCCO1
InChIInChI=1S/C7H14O/c1-2-4-7-5-3-6-8-7/h7H,2-6H2,1H3
InChIKeyDTGZORBDGLEVNY-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyloxolane?
The IUPAC name of 2-propyloxolane (CID 551240) is 2-propyloxolane.
What is the SMILES notation for 2-propyloxolane?
The canonical SMILES for 2-propyloxolane is CCCC1CCCO1.
What is the InChIKey of 2-propyloxolane?
The InChIKey is DTGZORBDGLEVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-2-4-7-5-3-6-8-7/h7H,2-6H2,1H3.
What are the key properties of 2-propyloxolane?
2-propyloxolane has a molecular weight of 114.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyloxolane is sourced from PubChem (CID 551240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).