3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate

C15H20O4 — CID 130231792

IUPAC3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC1C2CC3C(=O)CC1C3O2
InChIInChI=1S/C15H20O4/c1-8(2)15(17)18-5-3-4-9-10-6-12(16)11-7-13(9)19-14(10)11/h9-11,13-14H,1,3-7H2,2H3
InChIKeyTYTFPCAXVBMPNL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.88
Rot. Bonds5

About 3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate

3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate (PubChem CID 130231792) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate
PubChem CID130231792
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC1C2CC3C(=O)CC1C3O2
InChIInChI=1S/C15H20O4/c1-8(2)15(17)18-5-3-4-9-10-6-12(16)11-7-13(9)19-14(10)11/h9-11,13-14H,1,3-7H2,2H3
InChIKeyTYTFPCAXVBMPNL-UHFFFAOYSA-N
XLogP1.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 4-(2-methylprop-2-enoyloxy)butanoate
CID 59554771
3-(3-ethyloxiran-2-yl)propyl 2-methylprop-2-enoate
CID 19101506
6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl 2-methylprop-2-enoate
CID 87233020
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate
CID 58887182
3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate
CID 59289014
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
CID 23094248
CID 23094248
(7-oxo-8-oxatricyclo[4.3.0.02,4]nonan-9-yl)methyl 2-methylprop-2-enoate
CID 89063719
2-(2-methylprop-2-enoyloxy)ethyl (2R)-4-oxooxetane-2-carboxylate
CID 101158451
2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate
CID 101194872
sulfane;3-sulfanylpropyl 2-methylprop-2-enoate
CID 175403752

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate (CID 130231792) is 3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC1C2CC3C(=O)CC1C3O2.
What is the InChIKey of 3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate?
The InChIKey is TYTFPCAXVBMPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-8(2)15(17)18-5-3-4-9-10-6-12(16)11-7-13(9)19-14(10)11/h9-11,13-14H,1,3-7H2,2H3.
What are the key properties of 3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate?
3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 130231792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).