5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene

C20H28O2 — CID 154203561

IUPAC5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene
SMILESC(=CCOCC1CC2C=CC1C2)COCC1CC2C=CC1C2
InChIInChI=1S/C20H28O2/c1(7-21-13-19-11-15-3-5-17(19)9-15)2-8-22-14-20-12-16-4-6-18(20)10-16/h1-6,15-20H,7-14H2
InChIKeyWACUXXIOSSZYIS-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.00
Rot. Bonds8

About 5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene

5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 154203561) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene
PubChem CID154203561
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene
SMILESC(=CCOCC1CC2C=CC1C2)COCC1CC2C=CC1C2
InChIInChI=1S/C20H28O2/c1(7-21-13-19-11-15-3-5-17(19)9-15)2-8-22-14-20-12-16-4-6-18(20)10-16/h1-6,15-20H,7-14H2
InChIKeyWACUXXIOSSZYIS-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.00
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 5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene (CID 154203561) is 5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene is C(=CCOCC1CC2C=CC1C2)COCC1CC2C=CC1C2.
What is the InChIKey of 5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is WACUXXIOSSZYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1(7-21-13-19-11-15-3-5-17(19)9-15)2-8-22-14-20-12-16-4-6-18(20)10-16/h1-6,15-20H,7-14H2.
What are the key properties of 5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene?
5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 300.44 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 154203561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).