14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene

C16H18O — CID 162740070

IUPAC14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene
SMILESC=CC1CC2CC1C1Oc3ccccc3CC21
InChIInChI=1S/C16H18O/c1-2-10-7-12-9-13(10)16-14(12)8-11-5-3-4-6-15(11)17-16/h2-6,10,12-14,16H,1,7-9H2
InChIKeyFWGQAAMWXZKVDS-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.45
Rot. Bonds1

About 14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene

14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene (PubChem CID 162740070) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene.

Molecular Properties

Compound Name14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene
PubChem CID162740070
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene
SMILESC=CC1CC2CC1C1Oc3ccccc3CC21
InChIInChI=1S/C16H18O/c1-2-10-7-12-9-13(10)16-14(12)8-11-5-3-4-6-15(11)17-16/h2-6,10,12-14,16H,1,7-9H2
InChIKeyFWGQAAMWXZKVDS-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene?
The IUPAC name of 14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene (CID 162740070) is 14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene.
What is the SMILES notation for 14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene?
The canonical SMILES for 14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene is C=CC1CC2CC1C1Oc3ccccc3CC21.
What is the InChIKey of 14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene?
The InChIKey is FWGQAAMWXZKVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-2-10-7-12-9-13(10)16-14(12)8-11-5-3-4-6-15(11)17-16/h2-6,10,12-14,16H,1,7-9H2.
What are the key properties of 14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene?
14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene has a molecular weight of 226.32 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene is sourced from PubChem (CID 162740070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).