2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate

C19H26O4 — CID 139562214

IUPAC2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CCC2C3CCC(C3COC(=O)C=C)C12
InChIInChI=1S/C19H26O4/c1-3-17(20)22-10-9-12-5-6-14-13-7-8-15(19(12)14)16(13)11-23-18(21)4-2/h3-4,12-16,19H,1-2,5-11H2
InChIKeyJJOIZCFDRZRAOZ-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.13
Rot. Bonds7

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

2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate (PubChem CID 139562214) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
PubChem CID139562214
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CCC2C3CCC(C3COC(=O)C=C)C12
InChIInChI=1S/C19H26O4/c1-3-17(20)22-10-9-12-5-6-14-13-7-8-15(19(12)14)16(13)11-23-18(21)4-2/h3-4,12-16,19H,1-2,5-11H2
InChIKeyJJOIZCFDRZRAOZ-UHFFFAOYSA-N
XLogP3.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
CID 134574362
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
2-[7-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
CID 134387296
[(1S,2R,6S,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 129490885
[(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 129490884
2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid
CID 59129651
[3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 91104364
2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl prop-2-enoate
CID 102248229
[8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate
CID 171754001
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
CID 171776027

Frequently Asked Questions

What is the IUPAC name of 2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate?
The IUPAC name of 2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate (CID 139562214) is 2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate is C=CC(=O)OCCC1CCC2C3CCC(C3COC(=O)C=C)C12.
What is the InChIKey of 2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate?
The InChIKey is JJOIZCFDRZRAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-3-17(20)22-10-9-12-5-6-14-13-7-8-15(19(12)14)16(13)11-23-18(21)4-2/h3-4,12-16,19H,1-2,5-11H2.
What are the key properties of 2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate?
2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate has a molecular weight of 318.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate is sourced from PubChem (CID 139562214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).