2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane

C12H18O — CID 57156498

IUPAC2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane
SMILESC=CCOC1CC2CC1CC2C=C
InChIInChI=1S/C12H18O/c1-3-5-13-12-8-10-7-11(12)6-9(10)4-2/h3-4,9-12H,1-2,5-8H2
InChIKeyIXMXPZYSAHARFY-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.79
Rot. Bonds4

About 2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane

2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane (PubChem CID 57156498) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane
PubChem CID57156498
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane
SMILESC=CCOC1CC2CC1CC2C=C
InChIInChI=1S/C12H18O/c1-3-5-13-12-8-10-7-11(12)6-9(10)4-2/h3-4,9-12H,1-2,5-8H2
InChIKeyIXMXPZYSAHARFY-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.79
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-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane?
The IUPAC name of 2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane (CID 57156498) is 2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane.
What is the SMILES notation for 2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane?
The canonical SMILES for 2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane is C=CCOC1CC2CC1CC2C=C.
What is the InChIKey of 2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane?
The InChIKey is IXMXPZYSAHARFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-5-13-12-8-10-7-11(12)6-9(10)4-2/h3-4,9-12H,1-2,5-8H2.
What are the key properties of 2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane?
2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane has a molecular weight of 178.27 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane is sourced from PubChem (CID 57156498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).