1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene

C16H28O — CID 22222983

IUPAC1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCCCCCCCCOCC12C=CC(CC1)C2
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-12-17-14-16-10-8-15(13-16)9-11-16/h8,10,15H,2-7,9,11-14H2,1H3
InChIKeyLGMVEYAZDCCPNV-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.72
Rot. Bonds9

About 1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene

1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 22222983) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID22222983
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCCCCCCCCOCC12C=CC(CC1)C2
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-12-17-14-16-10-8-15(13-16)9-11-16/h8,10,15H,2-7,9,11-14H2,1H3
InChIKeyLGMVEYAZDCCPNV-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.72
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 1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 22222983) is 1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene is CCCCCCCCOCC12C=CC(CC1)C2.
What is the InChIKey of 1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is LGMVEYAZDCCPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-2-3-4-5-6-7-12-17-14-16-10-8-15(13-16)9-11-16/h8,10,15H,2-7,9,11-14H2,1H3.
What are the key properties of 1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene?
1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 236.40 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(octoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22222983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).