methyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate

C14H20O5 — CID 10587959

IUPACmethyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCCC(=O)[C@@H]2C[C@H]3COC[C@@]31O2
InChIInChI=1S/C14H20O5/c1-17-13(16)10-4-2-3-5-11(15)12-6-9-7-18-8-14(9,10)19-12/h9-10,12H,2-8H2,1H3/t9-,10-,12-,14+/m0/s1
InChIKeyQSQNBDWBWLUZFQ-JYYRZZBQSA-N
MW268.31 g/mol
LogP1.09
Rot. Bonds1

About methyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate

methyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate (PubChem CID 10587959) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate
PubChem CID10587959
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Namemethyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCCC(=O)[C@@H]2C[C@H]3COC[C@@]31O2
InChIInChI=1S/C14H20O5/c1-17-13(16)10-4-2-3-5-11(15)12-6-9-7-18-8-14(9,10)19-12/h9-10,12H,2-8H2,1H3/t9-,10-,12-,14+/m0/s1
InChIKeyQSQNBDWBWLUZFQ-JYYRZZBQSA-N
XLogP1.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate?
The IUPAC name of methyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate (CID 10587959) is methyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate.
What is the SMILES notation for methyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate?
The canonical SMILES for methyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate is COC(=O)[C@@H]1CCCCC(=O)[C@@H]2C[C@H]3COC[C@@]31O2.
What is the InChIKey of methyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate?
The InChIKey is QSQNBDWBWLUZFQ-JYYRZZBQSA-N. The full InChI is InChI=1S/C14H20O5/c1-17-13(16)10-4-2-3-5-11(15)12-6-9-7-18-8-14(9,10)19-12/h9-10,12H,2-8H2,1H3/t9-,10-,12-,14+/m0/s1.
What are the key properties of methyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate?
methyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,8S,10S)-7-oxo-12,14-dioxatricyclo[6.5.1.01,10]tetradecane-2-carboxylate is sourced from PubChem (CID 10587959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).