[(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate

C18H24O4 — CID 129490884

IUPAC[(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
SMILESC=CC(=O)OC[C@@H]1[C@H](COC(=O)C=C)[C@@H]2C[C@H]1[C@@H]1CCC[C@H]12
InChIInChI=1S/C18H24O4/c1-3-17(19)21-9-15-13-8-14(12-7-5-6-11(12)13)16(15)10-22-18(20)4-2/h3-4,11-16H,1-2,5-10H2/t11-,12-,13-,14+,15-,16+/m1/s1
InChIKeyPHBAKVPDAOWHDH-FWXGHANASA-N
MW304.39 g/mol
LogP2.74
Rot. Bonds6

About [(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate

[(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate (PubChem CID 129490884) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
PubChem CID129490884
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name[(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
SMILESC=CC(=O)OC[C@@H]1[C@H](COC(=O)C=C)[C@@H]2C[C@H]1[C@@H]1CCC[C@H]12
InChIInChI=1S/C18H24O4/c1-3-17(19)21-9-15-13-8-14(12-7-5-6-11(12)13)16(15)10-22-18(20)4-2/h3-4,11-16H,1-2,5-10H2/t11-,12-,13-,14+,15-,16+/m1/s1
InChIKeyPHBAKVPDAOWHDH-FWXGHANASA-N
XLogP2.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate with MolForge

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Related Compounds

[(1S,2R,6S,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 129490885
[(1R,7S)-9-oxo-8-oxatricyclo[5.3.1.02,6]undecan-10-yl]methyl prop-2-enoate
CID 101367201
[3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 91104364
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
CID 89290617
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
(Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate
CID 174820193
2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate
CID 66595925
[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclohexyl]methyl prop-2-enoate
CID 166816208
2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
CID 139562214
(3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate
CID 137428547

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?
The IUPAC name of [(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate (CID 129490884) is [(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate.
What is the SMILES notation for [(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?
The canonical SMILES for [(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate is C=CC(=O)OC[C@@H]1[C@H](COC(=O)C=C)[C@@H]2C[C@H]1[C@@H]1CCC[C@H]12.
What is the InChIKey of [(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?
The InChIKey is PHBAKVPDAOWHDH-FWXGHANASA-N. The full InChI is InChI=1S/C18H24O4/c1-3-17(19)21-9-15-13-8-14(12-7-5-6-11(12)13)16(15)10-22-18(20)4-2/h3-4,11-16H,1-2,5-10H2/t11-,12-,13-,14+,15-,16+/m1/s1.
What are the key properties of [(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?
[(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate has a molecular weight of 304.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate is sourced from PubChem (CID 129490884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).