methyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate

C19H32O6 — CID 14412758

IUPACmethyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate
SMILESCCCCCCCCCC[C@H](C(=O)OC)[C@]1(C(=O)OC)CCC(=O)O1
InChIInChI=1S/C19H32O6/c1-4-5-6-7-8-9-10-11-12-15(17(21)23-2)19(18(22)24-3)14-13-16(20)25-19/h15H,4-14H2,1-3H3/t15-,19+/m1/s1
InChIKeyWYGDLENLCOFIFH-BEFAXECRSA-N
MW356.46 g/mol
LogP3.56
Rot. Bonds12

About methyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate

methyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate (PubChem CID 14412758) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is methyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate
PubChem CID14412758
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Namemethyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate
SMILESCCCCCCCCCC[C@H](C(=O)OC)[C@]1(C(=O)OC)CCC(=O)O1
InChIInChI=1S/C19H32O6/c1-4-5-6-7-8-9-10-11-12-15(17(21)23-2)19(18(22)24-3)14-13-16(20)25-19/h15H,4-14H2,1-3H3/t15-,19+/m1/s1
InChIKeyWYGDLENLCOFIFH-BEFAXECRSA-N
XLogP3.56
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-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 (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate?
The IUPAC name of methyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate (CID 14412758) is methyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate.
What is the SMILES notation for methyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate?
The canonical SMILES for methyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate is CCCCCCCCCC[C@H](C(=O)OC)[C@]1(C(=O)OC)CCC(=O)O1.
What is the InChIKey of methyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate?
The InChIKey is WYGDLENLCOFIFH-BEFAXECRSA-N. The full InChI is InChI=1S/C19H32O6/c1-4-5-6-7-8-9-10-11-12-15(17(21)23-2)19(18(22)24-3)14-13-16(20)25-19/h15H,4-14H2,1-3H3/t15-,19+/m1/s1.
What are the key properties of methyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate?
methyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate has a molecular weight of 356.46 g/mol, XLogP of 3.56, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2S)-1-methoxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 14412758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).