11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate

C13H14O2 — CID 582307

IUPAC11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate
SMILESCC(=O)OC1C2CCC1c1ccccc12
InChIInChI=1S/C13H14O2/c1-8(14)15-13-11-6-7-12(13)10-5-3-2-4-9(10)11/h2-5,11-13H,6-7H2,1H3
InChIKeyVNBPMOWULQJFFK-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.59
Rot. Bonds1

About 11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate

11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate (PubChem CID 582307) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate.

Molecular Properties

Compound Name11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate
PubChem CID582307
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate
SMILESCC(=O)OC1C2CCC1c1ccccc12
InChIInChI=1S/C13H14O2/c1-8(14)15-13-11-6-7-12(13)10-5-3-2-4-9(10)11/h2-5,11-13H,6-7H2,1H3
InChIKeyVNBPMOWULQJFFK-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9-Fluorenyl)ethyl chloroformate
CID 115102
1-Phenyl-2-norbornyl acetate
CID 144470
1-Indanyl acetate
CID 233153
9-(Acetoxymethyl)fluorene
CID 540179
2,3-Dihydro-1H-inden-2-yl acetate
CID 575759
methyl (3Z)-3-(3-methoxy-2-methyl-2,3-dihydroinden-1-ylidene)propanoate
CID 16759097
1,4-Methanonaphthalen-9-ol, 1,2,3,4-tetrahydro-, stereoisomer
CID 136935
9-Fluorenyl acetate
CID 141166
2-Fluorenemethanol, trifluoroacetate
CID 54397890
1,4-Methanonaphthalene, 2,3-epoxy-1,2,3,4-tetrahydro-, exo-2,3-
CID 582272
(2-Phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate
CID 91486784
2,3-dihydro-1H-inden-2-yl (2S,3S)-2-fluoro-3-phenylbutanoate
CID 176438804

Frequently Asked Questions

What is the IUPAC name of 11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate?
The IUPAC name of 11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate (CID 582307) is 11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate.
What is the SMILES notation for 11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate?
The canonical SMILES for 11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate is CC(=O)OC1C2CCC1c1ccccc12.
What is the InChIKey of 11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate?
The InChIKey is VNBPMOWULQJFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-8(14)15-13-11-6-7-12(13)10-5-3-2-4-9(10)11/h2-5,11-13H,6-7H2,1H3.
What are the key properties of 11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate?
11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate has a molecular weight of 202.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl acetate is sourced from PubChem (CID 582307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).