3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane

C17H28O2 — CID 139896297

IUPAC3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane
SMILESC=CCOCC1(COCC=C)C2CCC(C2)C1CC
InChIInChI=1S/C17H28O2/c1-4-9-18-12-17(13-19-10-5-2)15-8-7-14(11-15)16(17)6-3/h4-5,14-16H,1-2,6-13H2,3H3
InChIKeyQAXDFJKUZSSHLN-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.83
Rot. Bonds9

About 3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane

3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane (PubChem CID 139896297) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane
PubChem CID139896297
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane
SMILESC=CCOCC1(COCC=C)C2CCC(C2)C1CC
InChIInChI=1S/C17H28O2/c1-4-9-18-12-17(13-19-10-5-2)15-8-7-14(11-15)16(17)6-3/h4-5,14-16H,1-2,6-13H2,3H3
InChIKeyQAXDFJKUZSSHLN-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane (CID 139896297) is 3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane is C=CCOCC1(COCC=C)C2CCC(C2)C1CC.
What is the InChIKey of 3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane?
The InChIKey is QAXDFJKUZSSHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-4-9-18-12-17(13-19-10-5-2)15-8-7-14(11-15)16(17)6-3/h4-5,14-16H,1-2,6-13H2,3H3.
What are the key properties of 3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane?
3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane has a molecular weight of 264.41 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 139896297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).