2-(3-propoxypropyl)-3-propyloxirane

C11H22O2 — CID 21447537

IUPAC2-(3-propoxypropyl)-3-propyloxirane
SMILESCCCOCCCC1OC1CCC
InChIInChI=1S/C11H22O2/c1-3-6-10-11(13-10)7-5-9-12-8-4-2/h10-11H,3-9H2,1-2H3
InChIKeyJFHPWDLYTBDTAP-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.76
Rot. Bonds8

About 2-(3-propoxypropyl)-3-propyloxirane

2-(3-propoxypropyl)-3-propyloxirane (PubChem CID 21447537) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(3-propoxypropyl)-3-propyloxirane.

Molecular Properties

Compound Name2-(3-propoxypropyl)-3-propyloxirane
PubChem CID21447537
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(3-propoxypropyl)-3-propyloxirane
SMILESCCCOCCCC1OC1CCC
InChIInChI=1S/C11H22O2/c1-3-6-10-11(13-10)7-5-9-12-8-4-2/h10-11H,3-9H2,1-2H3
InChIKeyJFHPWDLYTBDTAP-UHFFFAOYSA-N
XLogP2.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxypropyl)-3-propyloxirane?
The IUPAC name of 2-(3-propoxypropyl)-3-propyloxirane (CID 21447537) is 2-(3-propoxypropyl)-3-propyloxirane.
What is the SMILES notation for 2-(3-propoxypropyl)-3-propyloxirane?
The canonical SMILES for 2-(3-propoxypropyl)-3-propyloxirane is CCCOCCCC1OC1CCC.
What is the InChIKey of 2-(3-propoxypropyl)-3-propyloxirane?
The InChIKey is JFHPWDLYTBDTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-6-10-11(13-10)7-5-9-12-8-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(3-propoxypropyl)-3-propyloxirane?
2-(3-propoxypropyl)-3-propyloxirane has a molecular weight of 186.29 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxypropyl)-3-propyloxirane is sourced from PubChem (CID 21447537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).