dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate

C15H26O6 — CID 11472157

IUPACdimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@H](O[C@@H]1CCC[C@H](C)O1)C(C)C
InChIInChI=1S/C15H26O6/c1-9(2)13(12(14(16)18-4)15(17)19-5)21-11-8-6-7-10(3)20-11/h9-13H,6-8H2,1-5H3/t10-,11+,13+/m0/s1
InChIKeyMIHCQAWLIIDSBV-DMDPSCGWSA-N
MW302.37 g/mol
LogP1.90
Rot. Bonds6

About dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate

dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate (PubChem CID 11472157) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate
PubChem CID11472157
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Namedimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@H](O[C@@H]1CCC[C@H](C)O1)C(C)C
InChIInChI=1S/C15H26O6/c1-9(2)13(12(14(16)18-4)15(17)19-5)21-11-8-6-7-10(3)20-11/h9-13H,6-8H2,1-5H3/t10-,11+,13+/m0/s1
InChIKeyMIHCQAWLIIDSBV-DMDPSCGWSA-N
XLogP1.90
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate 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 dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate?
The IUPAC name of dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate (CID 11472157) is dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate?
The canonical SMILES for dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate is COC(=O)C(C(=O)OC)[C@H](O[C@@H]1CCC[C@H](C)O1)C(C)C.
What is the InChIKey of dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate?
The InChIKey is MIHCQAWLIIDSBV-DMDPSCGWSA-N. The full InChI is InChI=1S/C15H26O6/c1-9(2)13(12(14(16)18-4)15(17)19-5)21-11-8-6-7-10(3)20-11/h9-13H,6-8H2,1-5H3/t10-,11+,13+/m0/s1.
What are the key properties of dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate?
dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate has a molecular weight of 302.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate is sourced from PubChem (CID 11472157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).