2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane

C12H20O — CID 67923105

IUPAC2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane
SMILESC=CCOC12CCC(CC1CC)C2
InChIInChI=1S/C12H20O/c1-3-7-13-12-6-5-10(9-12)8-11(12)4-2/h3,10-11H,1,4-9H2,2H3
InChIKeyVZQINAHYZBPANP-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.16
Rot. Bonds4

About 2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane

2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane (PubChem CID 67923105) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane
PubChem CID67923105
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane
SMILESC=CCOC12CCC(CC1CC)C2
InChIInChI=1S/C12H20O/c1-3-7-13-12-6-5-10(9-12)8-11(12)4-2/h3,10-11H,1,4-9H2,2H3
InChIKeyVZQINAHYZBPANP-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
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-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane?
The IUPAC name of 2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane (CID 67923105) is 2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane.
What is the SMILES notation for 2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane?
The canonical SMILES for 2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane is C=CCOC12CCC(CC1CC)C2.
What is the InChIKey of 2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane?
The InChIKey is VZQINAHYZBPANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-7-13-12-6-5-10(9-12)8-11(12)4-2/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane?
2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane has a molecular weight of 180.29 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-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane is sourced from PubChem (CID 67923105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).