3-propyloxolane

C7H14O — CID 12508258

IUPAC3-propyloxolane
SMILESCCCC1CCOC1
InChIInChI=1S/C7H14O/c1-2-3-7-4-5-8-6-7/h7H,2-6H2,1H3
InChIKeyLIVHIUATGMRPFU-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.82
Rot. Bonds2

About 3-propyloxolane

3-propyloxolane (PubChem CID 12508258) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 3-propyloxolane.

Molecular Properties

Compound Name3-propyloxolane
PubChem CID12508258
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name3-propyloxolane
SMILESCCCC1CCOC1
InChIInChI=1S/C7H14O/c1-2-3-7-4-5-8-6-7/h7H,2-6H2,1H3
InChIKeyLIVHIUATGMRPFU-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propyloxolane?
The IUPAC name of 3-propyloxolane (CID 12508258) is 3-propyloxolane.
What is the SMILES notation for 3-propyloxolane?
The canonical SMILES for 3-propyloxolane is CCCC1CCOC1.
What is the InChIKey of 3-propyloxolane?
The InChIKey is LIVHIUATGMRPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-2-3-7-4-5-8-6-7/h7H,2-6H2,1H3.
What are the key properties of 3-propyloxolane?
3-propyloxolane has a molecular weight of 114.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyloxolane is sourced from PubChem (CID 12508258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).