8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate

C12H10O2 — CID 170691804

IUPAC8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate
SMILESO=COC1=C2C=C3C=CCC3(C=C1)C2
InChIInChI=1S/C12H10O2/c13-8-14-11-3-5-12-4-1-2-10(12)6-9(11)7-12/h1-3,5-6,8H,4,7H2
InChIKeyYFLBXXGSRGYIAJ-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.26
Rot. Bonds2

About 8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate

8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate (PubChem CID 170691804) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate.

Molecular Properties

Compound Name8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate
PubChem CID170691804
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate
SMILESO=COC1=C2C=C3C=CCC3(C=C1)C2
InChIInChI=1S/C12H10O2/c13-8-14-11-3-5-12-4-1-2-10(12)6-9(11)7-12/h1-3,5-6,8H,4,7H2
InChIKeyYFLBXXGSRGYIAJ-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate?
The IUPAC name of 8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate (CID 170691804) is 8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate.
What is the SMILES notation for 8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate?
The canonical SMILES for 8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate is O=COC1=C2C=C3C=CCC3(C=C1)C2.
What is the InChIKey of 8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate?
The InChIKey is YFLBXXGSRGYIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-8-14-11-3-5-12-4-1-2-10(12)6-9(11)7-12/h1-3,5-6,8H,4,7H2.
What are the key properties of 8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate?
8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate has a molecular weight of 186.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate is sourced from PubChem (CID 170691804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).