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

C20H28O4 — CID 134574362

IUPAC2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CCC2C3CCC(C3CCOC(=O)C=C)C12
InChIInChI=1S/C20H28O4/c1-3-18(21)23-11-9-13-5-6-16-14-7-8-17(20(13)16)15(14)10-12-24-19(22)4-2/h3-4,13-17,20H,1-2,5-12H2
InChIKeyHGGMCLLWUFDLFT-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.52
Rot. Bonds8

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

2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate (PubChem CID 134574362) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
PubChem CID134574362
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Name2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CCC2C3CCC(C3CCOC(=O)C=C)C12
InChIInChI=1S/C20H28O4/c1-3-18(21)23-11-9-13-5-6-16-14-7-8-17(20(13)16)15(14)10-12-24-19(22)4-2/h3-4,13-17,20H,1-2,5-12H2
InChIKeyHGGMCLLWUFDLFT-UHFFFAOYSA-N
XLogP3.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
CID 139562214
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
2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid
CID 59129651
2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl prop-2-enoate
CID 102248229
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
CID 171776027
4-[[7-[(4-prop-2-enoyloxybutoxycarbonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]methylcarbamoyloxy]butyl prop-2-enoate
CID 129276706
4-[[2-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-7-bicyclo[2.2.1]heptanyl]methylcarbamoyloxy]butyl prop-2-enoate
CID 129294107
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
2-(3-methyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethyl prop-2-enoate
CID 88999360
3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
CID 70268228

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate?
The IUPAC name of 2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate (CID 134574362) is 2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate is C=CC(=O)OCCC1CCC2C3CCC(C3CCOC(=O)C=C)C12.
What is the InChIKey of 2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate?
The InChIKey is HGGMCLLWUFDLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O4/c1-3-18(21)23-11-9-13-5-6-16-14-7-8-17(20(13)16)15(14)10-12-24-19(22)4-2/h3-4,13-17,20H,1-2,5-12H2.
What are the key properties of 2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate?
2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate has a molecular weight of 332.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate is sourced from PubChem (CID 134574362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).