2-prop-2-enyl-4-propyloxane

C11H20O — CID 54547299

IUPAC2-prop-2-enyl-4-propyloxane
SMILESC=CCC1CC(CCC)CCO1
InChIInChI=1S/C11H20O/c1-3-5-10-7-8-12-11(9-10)6-4-2/h4,10-11H,2-3,5-9H2,1H3
InChIKeySJLYSDBGPWISCV-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds4

About 2-prop-2-enyl-4-propyloxane

2-prop-2-enyl-4-propyloxane (PubChem CID 54547299) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-prop-2-enyl-4-propyloxane.

Molecular Properties

Compound Name2-prop-2-enyl-4-propyloxane
PubChem CID54547299
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-prop-2-enyl-4-propyloxane
SMILESC=CCC1CC(CCC)CCO1
InChIInChI=1S/C11H20O/c1-3-5-10-7-8-12-11(9-10)6-4-2/h4,10-11H,2-3,5-9H2,1H3
InChIKeySJLYSDBGPWISCV-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-4-propyloxane?
The IUPAC name of 2-prop-2-enyl-4-propyloxane (CID 54547299) is 2-prop-2-enyl-4-propyloxane.
What is the SMILES notation for 2-prop-2-enyl-4-propyloxane?
The canonical SMILES for 2-prop-2-enyl-4-propyloxane is C=CCC1CC(CCC)CCO1.
What is the InChIKey of 2-prop-2-enyl-4-propyloxane?
The InChIKey is SJLYSDBGPWISCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-5-10-7-8-12-11(9-10)6-4-2/h4,10-11H,2-3,5-9H2,1H3.
What are the key properties of 2-prop-2-enyl-4-propyloxane?
2-prop-2-enyl-4-propyloxane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-4-propyloxane is sourced from PubChem (CID 54547299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).