5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene

C18H32O — CID 90727032

IUPAC5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCCCCCCCCCCOCC1CC2C=CC1C2
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-12-19-15-18-14-16-10-11-17(18)13-16/h10-11,16-18H,2-9,12-15H2,1H3
InChIKeyHNNCSXIOMOJHMA-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.36
Rot. Bonds11

About 5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene

5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 90727032) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID90727032
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCCCCCCCCCCOCC1CC2C=CC1C2
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-12-19-15-18-14-16-10-11-17(18)13-16/h10-11,16-18H,2-9,12-15H2,1H3
InChIKeyHNNCSXIOMOJHMA-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(decoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 90727032) is 5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene is CCCCCCCCCCOCC1CC2C=CC1C2.
What is the InChIKey of 5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is HNNCSXIOMOJHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-12-19-15-18-14-16-10-11-17(18)13-16/h10-11,16-18H,2-9,12-15H2,1H3.
What are the key properties of 5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene?
5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 264.45 g/mol, XLogP of 5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(decoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 90727032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).