methyl (4R)-4-(methoxymethoxy)dodecanoate

C15H30O4 — CID 11989133

IUPACmethyl (4R)-4-(methoxymethoxy)dodecanoate
SMILESCCCCCCCC[C@H](CCC(=O)OC)OCOC
InChIInChI=1S/C15H30O4/c1-4-5-6-7-8-9-10-14(19-13-17-2)11-12-15(16)18-3/h14H,4-13H2,1-3H3/t14-/m1/s1
InChIKeyXBTDHOXPMOIEOH-CQSZACIVSA-N
MW274.40 g/mol
LogP3.68
Rot. Bonds13

About methyl (4R)-4-(methoxymethoxy)dodecanoate

methyl (4R)-4-(methoxymethoxy)dodecanoate (PubChem CID 11989133) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is methyl (4R)-4-(methoxymethoxy)dodecanoate.

Molecular Properties

Compound Namemethyl (4R)-4-(methoxymethoxy)dodecanoate
PubChem CID11989133
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Namemethyl (4R)-4-(methoxymethoxy)dodecanoate
SMILESCCCCCCCC[C@H](CCC(=O)OC)OCOC
InChIInChI=1S/C15H30O4/c1-4-5-6-7-8-9-10-14(19-13-17-2)11-12-15(16)18-3/h14H,4-13H2,1-3H3/t14-/m1/s1
InChIKeyXBTDHOXPMOIEOH-CQSZACIVSA-N
XLogP3.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-(methoxymethoxy)dodecanoate?
The IUPAC name of methyl (4R)-4-(methoxymethoxy)dodecanoate (CID 11989133) is methyl (4R)-4-(methoxymethoxy)dodecanoate.
What is the SMILES notation for methyl (4R)-4-(methoxymethoxy)dodecanoate?
The canonical SMILES for methyl (4R)-4-(methoxymethoxy)dodecanoate is CCCCCCCC[C@H](CCC(=O)OC)OCOC.
What is the InChIKey of methyl (4R)-4-(methoxymethoxy)dodecanoate?
The InChIKey is XBTDHOXPMOIEOH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H30O4/c1-4-5-6-7-8-9-10-14(19-13-17-2)11-12-15(16)18-3/h14H,4-13H2,1-3H3/t14-/m1/s1.
What are the key properties of methyl (4R)-4-(methoxymethoxy)dodecanoate?
methyl (4R)-4-(methoxymethoxy)dodecanoate has a molecular weight of 274.40 g/mol, XLogP of 3.68, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-(methoxymethoxy)dodecanoate is sourced from PubChem (CID 11989133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).