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

C18H24O4 — CID 91104364

IUPAC[3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1CC2C3CCC(C3)C2C1COC(=O)C=C
InChIInChI=1S/C18H24O4/c1-3-16(19)21-9-13-8-14-11-5-6-12(7-11)18(14)15(13)10-22-17(20)4-2/h3-4,11-15,18H,1-2,5-10H2
InChIKeyAWNGMMWIGZYNAM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.74
Rot. Bonds6

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

[3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate (PubChem CID 91104364) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is [3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
PubChem CID91104364
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name[3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1CC2C3CCC(C3)C2C1COC(=O)C=C
InChIInChI=1S/C18H24O4/c1-3-16(19)21-9-13-8-14-11-5-6-12(7-11)18(14)15(13)10-22-17(20)4-2/h3-4,11-15,18H,1-2,5-10H2
InChIKeyAWNGMMWIGZYNAM-UHFFFAOYSA-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'}

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Related Compounds

[(1S,2S,3S,4R,6R,7S)-3-[3-(aziridin-1-yl)propanoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl 3-(aziridin-1-yl)propanoate
CID 124935016
[(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-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
CID 139562214
[8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate
CID 171754001
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl prop-2-enoate
CID 11816189
2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate
CID 66595926
3-tricyclo[5.2.1.02,6]decanylmethyl propanoate
CID 54381612
(4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate
CID 142801588
[2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate
CID 151236845
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022

Frequently Asked Questions

What is the IUPAC name of [3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?
The IUPAC name of [3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate (CID 91104364) is [3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate.
What is the SMILES notation for [3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?
The canonical SMILES for [3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate is C=CC(=O)OCC1CC2C3CCC(C3)C2C1COC(=O)C=C.
What is the InChIKey of [3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?
The InChIKey is AWNGMMWIGZYNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-3-16(19)21-9-13-8-14-11-5-6-12(7-11)18(14)15(13)10-22-17(20)4-2/h3-4,11-15,18H,1-2,5-10H2.
What are the key properties of [3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?
[3-(prop-2-enoyloxymethyl)-4-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 [3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate is sourced from PubChem (CID 91104364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).