2-prop-2-enyloxocane

C10H18O — CID 86241843

IUPAC2-prop-2-enyloxocane
SMILESC=CCC1CCCCCCO1
InChIInChI=1S/C10H18O/c1-2-7-10-8-5-3-4-6-9-11-10/h2,10H,1,3-9H2
InChIKeyBBALBUZSTZLJNG-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds2

About 2-prop-2-enyloxocane

2-prop-2-enyloxocane (PubChem CID 86241843) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-prop-2-enyloxocane.

Molecular Properties

Compound Name2-prop-2-enyloxocane
PubChem CID86241843
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-prop-2-enyloxocane
SMILESC=CCC1CCCCCCO1
InChIInChI=1S/C10H18O/c1-2-7-10-8-5-3-4-6-9-11-10/h2,10H,1,3-9H2
InChIKeyBBALBUZSTZLJNG-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-enyloxocane?
The IUPAC name of 2-prop-2-enyloxocane (CID 86241843) is 2-prop-2-enyloxocane.
What is the SMILES notation for 2-prop-2-enyloxocane?
The canonical SMILES for 2-prop-2-enyloxocane is C=CCC1CCCCCCO1.
What is the InChIKey of 2-prop-2-enyloxocane?
The InChIKey is BBALBUZSTZLJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-7-10-8-5-3-4-6-9-11-10/h2,10H,1,3-9H2.
What are the key properties of 2-prop-2-enyloxocane?
2-prop-2-enyloxocane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyloxocane is sourced from PubChem (CID 86241843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).