1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate

C17H26O2 — CID 89057270

IUPAC1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C1CC(C)C2C3CCC(C3)C12
InChIInChI=1S/C17H26O2/c1-9(2)17(18)19-11(4)14-7-10(3)15-12-5-6-13(8-12)16(14)15/h10-16H,1,5-8H2,2-4H3
InChIKeyYSXWPSVPSFKYGA-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.81
Rot. Bonds3

About 1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate

1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate (PubChem CID 89057270) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate
PubChem CID89057270
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C1CC(C)C2C3CCC(C3)C12
InChIInChI=1S/C17H26O2/c1-9(2)17(18)19-11(4)14-7-10(3)15-12-5-6-13(8-12)16(14)15/h10-16H,1,5-8H2,2-4H3
InChIKeyYSXWPSVPSFKYGA-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate
CID 123181333
ethane;methyl 2-methylprop-2-enoate;tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91494272
propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
(3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 101111135
[1-oxo-1-(4-oxo-3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-yl] 2-methylprop-2-enoate
CID 67963830
1-[6-hydroxy-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]ethyl 2-methylprop-2-enoate
CID 126538020
1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate
CID 141166852
1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
CID 22051873
1-(5-tetracyclo[7.2.1.13,6.02,7]tridecanyloxy)ethyl 2-methylprop-2-enoate
CID 123549392
3-methyl-1-(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)but-3-en-2-one
CID 163619518
2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;1-(2,3,4-trimethylcyclopentyl)ethyl ethaneperoxoate
CID 143139271

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate (CID 89057270) is 1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C1CC(C)C2C3CCC(C3)C12.
What is the InChIKey of 1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate?
The InChIKey is YSXWPSVPSFKYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-9(2)17(18)19-11(4)14-7-10(3)15-12-5-6-13(8-12)16(14)15/h10-16H,1,5-8H2,2-4H3.
What are the key properties of 1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate?
1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate has a molecular weight of 262.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 89057270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).