8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate

C18H20O2 — CID 69239662

IUPAC8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC1CC2CC1C1CC=CC21
InChIInChI=1S/C18H20O2/c19-18(9-12-5-2-1-3-6-12)20-17-11-13-10-16(17)15-8-4-7-14(13)15/h1-7,13-17H,8-11H2
InChIKeyAVFMNIJQPVVIDA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.37
Rot. Bonds3

About 8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate

8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate (PubChem CID 69239662) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate
PubChem CID69239662
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC1CC2CC1C1CC=CC21
InChIInChI=1S/C18H20O2/c19-18(9-12-5-2-1-3-6-12)20-17-11-13-10-16(17)15-8-4-7-14(13)15/h1-7,13-17H,8-11H2
InChIKeyAVFMNIJQPVVIDA-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl] acetate
CID 98078056
2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate
CID 164747363
(1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene
CID 11044251
8-methoxytricyclo[5.2.1.02,6]dec-3-ene
CID 20727446
cyclopropyl 2-phenylacetate
CID 135066962
(1R,2S,6R,7S,9S)-9-phenoxytricyclo[5.2.1.02,6]dec-3-ene
CID 98143097
4-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-11-enyl acetate
CID 15712219
2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate
CID 51408723
2-[[(1R,2S,6R,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate
CID 155251554
[(1S,2S,6S,7R,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
CID 98048334
[(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
CID 89153529
[(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate
CID 1106174

Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate (CID 69239662) is 8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate is O=C(Cc1ccccc1)OC1CC2CC1C1CC=CC21.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate?
The InChIKey is AVFMNIJQPVVIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c19-18(9-12-5-2-1-3-6-12)20-17-11-13-10-16(17)15-8-4-7-14(13)15/h1-7,13-17H,8-11H2.
What are the key properties of 8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate?
8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate has a molecular weight of 268.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate is sourced from PubChem (CID 69239662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).