2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate

C22H30O4 — CID 123601403

IUPAC2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1=CC2C3CC(C=C3CCOC(O)C(=C)C)C2C1
InChIInChI=1S/C22H30O4/c1-13(2)21(23)25-7-5-15-9-18-17-11-16(19(12-17)20(18)10-15)6-8-26-22(24)14(3)4/h10-11,17-20,22,24H,1,3,5-9,12H2,2,4H3
InChIKeyIHLBTLRCOILTQE-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.94
Rot. Bonds9

About 2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate

2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate (PubChem CID 123601403) has the molecular formula C22H30O4 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate
PubChem CID123601403
Molecular FormulaC22H30O4
Molecular Weight358.48 g/mol
Exact Mass358.21
IUPAC Name2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1=CC2C3CC(C=C3CCOC(O)C(=C)C)C2C1
InChIInChI=1S/C22H30O4/c1-13(2)21(23)25-7-5-15-9-18-17-11-16(19(12-17)20(18)10-15)6-8-26-22(24)14(3)4/h10-11,17-20,22,24H,1,3,5-9,12H2,2,4H3
InChIKeyIHLBTLRCOILTQE-UHFFFAOYSA-N
XLogP3.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-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-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 59266096
2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 134238609
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
4-O-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl] 1-O-(2-phenoxyethyl) butanedioate;4-O-(2-methyl-3-oxobutan-2-yl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate
CID 157318449
1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol
CID 15787829
[(4S,5R)-5-[5-(2-methylprop-2-enoyloxy)pentanoyloxy]-2-[5-(2-methylprop-2-enoyloxy)pentanoyloxymethyl]oxan-4-yl] 5-(1-hydroxy-2-methylprop-2-enoxy)pentanoate
CID 126556709
2-[3-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-5-[3-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 155446398
ethane;[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]methyl]cyclohexyl] 2-ethylbutanoate
CID 143493142
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
1-O,4-O-ditert-butyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2,4-tricarboxylate;2-O,4-O-ditert-butyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2,4-tricarboxylate
CID 158408213

Frequently Asked Questions

What is the IUPAC name of 2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate (CID 123601403) is 2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC1=CC2C3CC(C=C3CCOC(O)C(=C)C)C2C1.
What is the InChIKey of 2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate?
The InChIKey is IHLBTLRCOILTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O4/c1-13(2)21(23)25-7-5-15-9-18-17-11-16(19(12-17)20(18)10-15)6-8-26-22(24)14(3)4/h10-11,17-20,22,24H,1,3,5-9,12H2,2,4H3.
What are the key properties of 2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate?
2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate has a molecular weight of 358.48 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[2-(1-hydroxy-2-methylprop-2-enoxy)ethyl]-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 123601403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).