6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene

C17H26O2 — CID 139896247

IUPAC6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCC=COCC1(COC=CC)C2C=CC(C2)C1CC
InChIInChI=1S/C17H26O2/c1-4-9-18-12-17(13-19-10-5-2)15-8-7-14(11-15)16(17)6-3/h4-5,7-10,14-16H,6,11-13H2,1-3H3
InChIKeyNKCLRMNHZATWCV-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.31
Rot. Bonds7

About 6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene

6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 139896247) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID139896247
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCC=COCC1(COC=CC)C2C=CC(C2)C1CC
InChIInChI=1S/C17H26O2/c1-4-9-18-12-17(13-19-10-5-2)15-8-7-14(11-15)16(17)6-3/h4-5,7-10,14-16H,6,11-13H2,1-3H3
InChIKeyNKCLRMNHZATWCV-UHFFFAOYSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 139896247) is 6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene is CC=COCC1(COC=CC)C2C=CC(C2)C1CC.
What is the InChIKey of 6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is NKCLRMNHZATWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-9-18-12-17(13-19-10-5-2)15-8-7-14(11-15)16(17)6-3/h4-5,7-10,14-16H,6,11-13H2,1-3H3.
What are the key properties of 6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene?
6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 262.39 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 139896247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).