(1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

C16H22O5 — CID 118563675

IUPAC(1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESCOC1C2CC3C1OC(=O)C3C2C(=O)OC1(C)CCCC1
InChIInChI=1S/C16H22O5/c1-16(5-3-4-6-16)21-15(18)11-8-7-9-10(11)14(17)20-13(9)12(8)19-2/h8-13H,3-7H2,1-2H3
InChIKeyBTRNXNLNYGMOEB-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.68
Rot. Bonds3

About (1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

(1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (PubChem CID 118563675) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
PubChem CID118563675
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name(1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESCOC1C2CC3C1OC(=O)C3C2C(=O)OC1(C)CCCC1
InChIInChI=1S/C16H22O5/c1-16(5-3-4-6-16)21-15(18)11-8-7-9-10(11)14(17)20-13(9)12(8)19-2/h8-13H,3-7H2,1-2H3
InChIKeyBTRNXNLNYGMOEB-UHFFFAOYSA-N
XLogP1.68
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The IUPAC name of (1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (CID 118563675) is (1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.
What is the SMILES notation for (1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The canonical SMILES for (1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is COC1C2CC3C1OC(=O)C3C2C(=O)OC1(C)CCCC1.
What is the InChIKey of (1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The InChIKey is BTRNXNLNYGMOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-16(5-3-4-6-16)21-15(18)11-8-7-9-10(11)14(17)20-13(9)12(8)19-2/h8-13H,3-7H2,1-2H3.
What are the key properties of (1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
(1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is sourced from PubChem (CID 118563675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).