methyl (2R)-2-dimethoxyphosphoryldodecanoate

C15H31O5P — CID 98566008

IUPACmethyl (2R)-2-dimethoxyphosphoryldodecanoate
SMILESCCCCCCCCCC[C@H](C(=O)OC)P(=O)(OC)OC
InChIInChI=1S/C15H31O5P/c1-5-6-7-8-9-10-11-12-13-14(15(16)18-2)21(17,19-3)20-4/h14H,5-13H2,1-4H3/t14-/m1/s1
InChIKeyFEMBTDKIIIZBAM-CQSZACIVSA-N
MW322.38 g/mol
LogP4.54
Rot. Bonds13

About methyl (2R)-2-dimethoxyphosphoryldodecanoate

methyl (2R)-2-dimethoxyphosphoryldodecanoate (PubChem CID 98566008) has the molecular formula C15H31O5P and a molecular weight of 322.38 g/mol. Its IUPAC name is methyl (2R)-2-dimethoxyphosphoryldodecanoate.

Molecular Properties

Compound Namemethyl (2R)-2-dimethoxyphosphoryldodecanoate
PubChem CID98566008
Molecular FormulaC15H31O5P
Molecular Weight322.38 g/mol
Exact Mass322.19
IUPAC Namemethyl (2R)-2-dimethoxyphosphoryldodecanoate
SMILESCCCCCCCCCC[C@H](C(=O)OC)P(=O)(OC)OC
InChIInChI=1S/C15H31O5P/c1-5-6-7-8-9-10-11-12-13-14(15(16)18-2)21(17,19-3)20-4/h14H,5-13H2,1-4H3/t14-/m1/s1
InChIKeyFEMBTDKIIIZBAM-CQSZACIVSA-N
XLogP4.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-dimethoxyphosphoryldodecanoate?
The IUPAC name of methyl (2R)-2-dimethoxyphosphoryldodecanoate (CID 98566008) is methyl (2R)-2-dimethoxyphosphoryldodecanoate.
What is the SMILES notation for methyl (2R)-2-dimethoxyphosphoryldodecanoate?
The canonical SMILES for methyl (2R)-2-dimethoxyphosphoryldodecanoate is CCCCCCCCCC[C@H](C(=O)OC)P(=O)(OC)OC.
What is the InChIKey of methyl (2R)-2-dimethoxyphosphoryldodecanoate?
The InChIKey is FEMBTDKIIIZBAM-CQSZACIVSA-N. The full InChI is InChI=1S/C15H31O5P/c1-5-6-7-8-9-10-11-12-13-14(15(16)18-2)21(17,19-3)20-4/h14H,5-13H2,1-4H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-dimethoxyphosphoryldodecanoate?
methyl (2R)-2-dimethoxyphosphoryldodecanoate has a molecular weight of 322.38 g/mol, XLogP of 4.54, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-dimethoxyphosphoryldodecanoate is sourced from PubChem (CID 98566008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).