methoxymethane;16-methylheptadecanoic acid

C20H42O3 — CID 175921970

IUPACmethoxymethane;16-methylheptadecanoic acid
SMILESCC(C)CCCCCCCCCCCCCCC(=O)O.COC
InChIInChI=1S/C18H36O2.C2H6O/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-3-2/h17H,3-16H2,1-2H3,(H,19,20);1-2H3
InChIKeyNTCIDCRALGDOJJ-UHFFFAOYSA-N
MW330.55 g/mol
LogP6.45
Rot. Bonds15

About methoxymethane;16-methylheptadecanoic acid

methoxymethane;16-methylheptadecanoic acid (PubChem CID 175921970) has the molecular formula C20H42O3 and a molecular weight of 330.55 g/mol. Its IUPAC name is methoxymethane;16-methylheptadecanoic acid.

Molecular Properties

Compound Namemethoxymethane;16-methylheptadecanoic acid
PubChem CID175921970
Molecular FormulaC20H42O3
Molecular Weight330.55 g/mol
Exact Mass330.31
IUPAC Namemethoxymethane;16-methylheptadecanoic acid
SMILESCC(C)CCCCCCCCCCCCCCC(=O)O.COC
InChIInChI=1S/C18H36O2.C2H6O/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-3-2/h17H,3-16H2,1-2H3,(H,19,20);1-2H3
InChIKeyNTCIDCRALGDOJJ-UHFFFAOYSA-N
XLogP6.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.55
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

16-methylheptadecanoic acid
CID 87200881
azane;16-methylheptadecanoic acid
CID 161380406
8-methylnonanoic acid;zinc
CID 175431403
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
iron;6-methylheptanoic acid;7-methyloctanoic acid
CID 56844011
λ2-plumbane;6-methylheptanoic acid
CID 175289081
6-methylheptanoic acid;vanadium
CID 174623955
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
12,17-dimethyloctadecanoic acid
CID 123475021
sodium;hydride;6-methylheptanoic acid
CID 174475906
docosanoic acid;2-methylpentadecane
CID 161174634
16-methylheptadecanoic acid;tetradecane
CID 162095206

Frequently Asked Questions

What is the IUPAC name of methoxymethane;16-methylheptadecanoic acid?
The IUPAC name of methoxymethane;16-methylheptadecanoic acid (CID 175921970) is methoxymethane;16-methylheptadecanoic acid.
What is the SMILES notation for methoxymethane;16-methylheptadecanoic acid?
The canonical SMILES for methoxymethane;16-methylheptadecanoic acid is CC(C)CCCCCCCCCCCCCCC(=O)O.COC.
What is the InChIKey of methoxymethane;16-methylheptadecanoic acid?
The InChIKey is NTCIDCRALGDOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C2H6O/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-3-2/h17H,3-16H2,1-2H3,(H,19,20);1-2H3.
What are the key properties of methoxymethane;16-methylheptadecanoic acid?
methoxymethane;16-methylheptadecanoic acid has a molecular weight of 330.55 g/mol, XLogP of 6.45, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;16-methylheptadecanoic acid is sourced from PubChem (CID 175921970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).