[4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate

C19H26O3 — CID 54552642

IUPAC[4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
SMILESC=CC(=O)CCC1CC2C3CC(COC(=O)C=C)C(C3)C2C1
InChIInChI=1S/C19H26O3/c1-3-15(20)6-5-12-7-16-13-9-14(11-22-19(21)4-2)17(10-13)18(16)8-12/h3-4,12-14,16-18H,1-2,5-11H2
InChIKeyZKZGMMXCCUDSHI-UHFFFAOYSA-N
MW302.41 g/mol
LogP3.55
Rot. Bonds7

About [4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate

[4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate (PubChem CID 54552642) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is [4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
PubChem CID54552642
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name[4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
SMILESC=CC(=O)CCC1CC2C3CC(COC(=O)C=C)C(C3)C2C1
InChIInChI=1S/C19H26O3/c1-3-15(20)6-5-12-7-16-13-9-14(11-22-19(21)4-2)17(10-13)18(16)8-12/h3-4,12-14,16-18H,1-2,5-11H2
InChIKeyZKZGMMXCCUDSHI-UHFFFAOYSA-N
XLogP3.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate
CID 155136508
[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl 3-[[8-[[[3-oxo-3-[[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]-propanoylamino]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl-propanoylamino]propanoate
CID 58319791
2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 162064612
[(2R)-8-(2-methylprop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl 9-[6-hexyl-3-octyl-2-[9-oxo-9-[[(2R)-4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]nonyl]cyclohexyl]nonanoate
CID 89314912
[(2R,6R)-4-(2-methylprop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 9-[3-hexyl-4-octyl-2-[9-oxo-9-[[(2S,6S)-4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]nonyl]cyclohexyl]nonanoate
CID 58981315
[4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 7-[6-hexyl-2-[7-methylidene-9-[4-(2-methylprop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]nonyl]-3-octylcyclohexyl]heptanoate
CID 143155742
(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl prop-2-enoate
CID 154536495
[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate
CID 58319772
[8-(2-methylprop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl 3-methoxybut-2-enoate
CID 139788272
[8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate
CID 171754001
(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate
CID 126489359
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl prop-2-enoate
CID 11816189

Frequently Asked Questions

What is the IUPAC name of [4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?
The IUPAC name of [4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate (CID 54552642) is [4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate.
What is the SMILES notation for [4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?
The canonical SMILES for [4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate is C=CC(=O)CCC1CC2C3CC(COC(=O)C=C)C(C3)C2C1.
What is the InChIKey of [4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?
The InChIKey is ZKZGMMXCCUDSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3/c1-3-15(20)6-5-12-7-16-13-9-14(11-22-19(21)4-2)17(10-13)18(16)8-12/h3-4,12-14,16-18H,1-2,5-11H2.
What are the key properties of [4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?
[4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate has a molecular weight of 302.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate is sourced from PubChem (CID 54552642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).