2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate

C15H20O3 — CID 20607916

IUPAC2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC1C2CCC1C1CC=CC12
InChIInChI=1S/C15H20O3/c1-2-14(16)17-8-9-18-15-12-6-7-13(15)11-5-3-4-10(11)12/h2-4,10-13,15H,1,5-9H2
InChIKeyVPQCXNHTQSRYAT-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.33
Rot. Bonds5

About 2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate

2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate (PubChem CID 20607916) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate
PubChem CID20607916
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC1C2CCC1C1CC=CC12
InChIInChI=1S/C15H20O3/c1-2-14(16)17-8-9-18-15-12-6-7-13(15)11-5-3-4-10(11)12/h2-4,10-13,15H,1,5-9H2
InChIKeyVPQCXNHTQSRYAT-UHFFFAOYSA-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,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
bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene
CID 157126575
2-(3-methyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethyl prop-2-enoate
CID 88999360
8-tricyclo[5.2.1.02,6]dec-3-enylmethyl 6-prop-2-enoyloxyhexanoate
CID 163836073
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate
CID 176803426
2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate
CID 144910594
2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate
CID 171717408
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate
CID 70667209
2-(3a,4,5,6,7,7a-hexahydro-3H-inden-5-ylamino)ethyl prop-2-enoate
CID 176803410
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249

Frequently Asked Questions

What is the IUPAC name of 2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate?
The IUPAC name of 2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate (CID 20607916) is 2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate is C=CC(=O)OCCOC1C2CCC1C1CC=CC12.
What is the InChIKey of 2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate?
The InChIKey is VPQCXNHTQSRYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-14(16)17-8-9-18-15-12-6-7-13(15)11-5-3-4-10(11)12/h2-4,10-13,15H,1,5-9H2.
What are the key properties of 2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate?
2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)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-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate is sourced from PubChem (CID 20607916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).