2-prop-2-enyl-2-propyloxolane

C10H18O — CID 174587150

IUPAC2-prop-2-enyl-2-propyloxolane
SMILESC=CCC1(CCC)CCCO1
InChIInChI=1S/C10H18O/c1-3-6-10(7-4-2)8-5-9-11-10/h3H,1,4-9H2,2H3
InChIKeyOKXYMXQVRFKMHU-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds4

About 2-prop-2-enyl-2-propyloxolane

2-prop-2-enyl-2-propyloxolane (PubChem CID 174587150) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-prop-2-enyl-2-propyloxolane.

Molecular Properties

Compound Name2-prop-2-enyl-2-propyloxolane
PubChem CID174587150
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-prop-2-enyl-2-propyloxolane
SMILESC=CCC1(CCC)CCCO1
InChIInChI=1S/C10H18O/c1-3-6-10(7-4-2)8-5-9-11-10/h3H,1,4-9H2,2H3
InChIKeyOKXYMXQVRFKMHU-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
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-2-propyloxolane?
The IUPAC name of 2-prop-2-enyl-2-propyloxolane (CID 174587150) is 2-prop-2-enyl-2-propyloxolane.
What is the SMILES notation for 2-prop-2-enyl-2-propyloxolane?
The canonical SMILES for 2-prop-2-enyl-2-propyloxolane is C=CCC1(CCC)CCCO1.
What is the InChIKey of 2-prop-2-enyl-2-propyloxolane?
The InChIKey is OKXYMXQVRFKMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-6-10(7-4-2)8-5-9-11-10/h3H,1,4-9H2,2H3.
What are the key properties of 2-prop-2-enyl-2-propyloxolane?
2-prop-2-enyl-2-propyloxolane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 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-2-propyloxolane is sourced from PubChem (CID 174587150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).