methyl 12,12-dimethoxydodecanoate

C15H30O4 — CID 554421

IUPACmethyl 12,12-dimethoxydodecanoate
SMILESCOC(=O)CCCCCCCCCCC(OC)OC
InChIInChI=1S/C15H30O4/c1-17-14(16)12-10-8-6-4-5-7-9-11-13-15(18-2)19-3/h15H,4-13H2,1-3H3
InChIKeyUYESUODLZUUMGU-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.68
Rot. Bonds13

About methyl 12,12-dimethoxydodecanoate

methyl 12,12-dimethoxydodecanoate (PubChem CID 554421) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is methyl 12,12-dimethoxydodecanoate.

Molecular Properties

Compound Namemethyl 12,12-dimethoxydodecanoate
PubChem CID554421
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Namemethyl 12,12-dimethoxydodecanoate
SMILESCOC(=O)CCCCCCCCCCC(OC)OC
InChIInChI=1S/C15H30O4/c1-17-14(16)12-10-8-6-4-5-7-9-11-13-15(18-2)19-3/h15H,4-13H2,1-3H3
InChIKeyUYESUODLZUUMGU-UHFFFAOYSA-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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Related Compounds

Methyl Laurate
CID 8139
Methyl Decanoate
CID 8050
Methyl Octanoate
CID 8091
Methyl Myristate
CID 31284
Methyl nonanoate
CID 15606
Diethyl Sebacate
CID 8049
Ethyl Dodecanoate
CID 7800
Hexyl Octanoate
CID 14228
Ethyl octanoate
CID 7799
Ethyl Nonanoate
CID 31251
Ethyl caprate
CID 8048
Dimethyl sebacate
CID 7829

Frequently Asked Questions

What is the IUPAC name of methyl 12,12-dimethoxydodecanoate?
The IUPAC name of methyl 12,12-dimethoxydodecanoate (CID 554421) is methyl 12,12-dimethoxydodecanoate.
What is the SMILES notation for methyl 12,12-dimethoxydodecanoate?
The canonical SMILES for methyl 12,12-dimethoxydodecanoate is COC(=O)CCCCCCCCCCC(OC)OC.
What is the InChIKey of methyl 12,12-dimethoxydodecanoate?
The InChIKey is UYESUODLZUUMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-17-14(16)12-10-8-6-4-5-7-9-11-13-15(18-2)19-3/h15H,4-13H2,1-3H3.
What are the key properties of methyl 12,12-dimethoxydodecanoate?
methyl 12,12-dimethoxydodecanoate 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 12,12-dimethoxydodecanoate is sourced from PubChem (CID 554421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).