(10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate

C14H18O4 — CID 22168867

IUPAC(10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2C(C)C1C1C(=O)OCC21
InChIInChI=1S/C14H18O4/c1-6(2)13(15)18-10-4-8-7(3)11(10)12-9(8)5-17-14(12)16/h7-12H,1,4-5H2,2-3H3
InChIKeyCWDCCRZPNBRRJE-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.55
Rot. Bonds2

About (10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate

(10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate (PubChem CID 22168867) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate
PubChem CID22168867
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2C(C)C1C1C(=O)OCC21
InChIInChI=1S/C14H18O4/c1-6(2)13(15)18-10-4-8-7(3)11(10)12-9(8)5-17-14(12)16/h7-12H,1,4-5H2,2-3H3
InChIKeyCWDCCRZPNBRRJE-UHFFFAOYSA-N
XLogP1.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of (10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate?
The IUPAC name of (10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate (CID 22168867) is (10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate?
The canonical SMILES for (10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2C(C)C1C1C(=O)OCC21.
What is the InChIKey of (10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate?
The InChIKey is CWDCCRZPNBRRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-6(2)13(15)18-10-4-8-7(3)11(10)12-9(8)5-17-14(12)16/h7-12H,1,4-5H2,2-3H3.
What are the key properties of (10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate?
(10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 22168867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).