2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate

C15H20O3 — CID 51408723

IUPAC2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCO[C@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@H]21
InChIInChI=1S/C15H20O3/c1-2-15(16)18-7-6-17-14-9-10-8-13(14)12-5-3-4-11(10)12/h2-4,10-14H,1,5-9H2/t10-,11-,12+,13-,14+/m1/s1
InChIKeyRSVDRWTUCMTKBV-RGDJUOJXSA-N
MW248.32 g/mol
LogP2.33
Rot. Bonds5

About 2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate

2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate (PubChem CID 51408723) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate
PubChem CID51408723
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCO[C@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@H]21
InChIInChI=1S/C15H20O3/c1-2-15(16)18-7-6-17-14-9-10-8-13(14)12-5-3-4-11(10)12/h2-4,10-14H,1,5-9H2/t10-,11-,12+,13-,14+/m1/s1
InChIKeyRSVDRWTUCMTKBV-RGDJUOJXSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(1R,2S,6R,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate
CID 155251554
2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate
CID 20607916
bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene
CID 157126575
2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate
CID 66595925
8-tricyclo[5.2.1.02,6]dec-3-enylmethyl 6-prop-2-enoyloxyhexanoate
CID 163836073
2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate
CID 66595926
2-(3-methyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethyl prop-2-enoate
CID 88999360
(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
methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate
CID 157391279
8-methoxytricyclo[5.2.1.02,6]dec-3-ene
CID 20727446
2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate
CID 176803426
8-tricyclo[5.2.1.02,6]dec-3-enyl 2-phenylacetate
CID 69239662

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate?
The IUPAC name of 2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate (CID 51408723) is 2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate is C=CC(=O)OCCO[C@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@H]21.
What is the InChIKey of 2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate?
The InChIKey is RSVDRWTUCMTKBV-RGDJUOJXSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-15(16)18-7-6-17-14-9-10-8-13(14)12-5-3-4-11(10)12/h2-4,10-14H,1,5-9H2/t10-,11-,12+,13-,14+/m1/s1.
What are the key properties of 2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate?
2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate has a molecular weight of 248.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate is sourced from PubChem (CID 51408723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).