methyl 11-(2-butan-2-yloxyethoxy)undecanoate

C18H36O4 — CID 58764403

IUPACmethyl 11-(2-butan-2-yloxyethoxy)undecanoate
SMILESCCC(C)OCCOCCCCCCCCCCC(=O)OC
InChIInChI=1S/C18H36O4/c1-4-17(2)22-16-15-21-14-12-10-8-6-5-7-9-11-13-18(19)20-3/h17H,4-16H2,1-3H3
InChIKeyRGFLDHNCJKVHFW-UHFFFAOYSA-N
MW316.48 g/mol
LogP4.50
Rot. Bonds16

About methyl 11-(2-butan-2-yloxyethoxy)undecanoate

methyl 11-(2-butan-2-yloxyethoxy)undecanoate (PubChem CID 58764403) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is methyl 11-(2-butan-2-yloxyethoxy)undecanoate.

Molecular Properties

Compound Namemethyl 11-(2-butan-2-yloxyethoxy)undecanoate
PubChem CID58764403
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Namemethyl 11-(2-butan-2-yloxyethoxy)undecanoate
SMILESCCC(C)OCCOCCCCCCCCCCC(=O)OC
InChIInChI=1S/C18H36O4/c1-4-17(2)22-16-15-21-14-12-10-8-6-5-7-9-11-13-18(19)20-3/h17H,4-16H2,1-3H3
InChIKeyRGFLDHNCJKVHFW-UHFFFAOYSA-N
XLogP4.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 8-(2-butan-2-yloxyethoxy)octanoate
CID 58764416
ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate
CID 58764423
methyl 6-propoxyhexanoate
CID 68704998
methyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469998
methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate
CID 164593219
methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470261
methyl 4-heptoxybutanoate
CID 43378175
methyl 6-(9-hydroxynonoxy)hexanoate
CID 139893543
methyl 3-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]propanoate
CID 139594409
bis[1-(2-hexoxyethoxy)ethyl] hexanedioate
CID 87924919
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758

Frequently Asked Questions

What is the IUPAC name of methyl 11-(2-butan-2-yloxyethoxy)undecanoate?
The IUPAC name of methyl 11-(2-butan-2-yloxyethoxy)undecanoate (CID 58764403) is methyl 11-(2-butan-2-yloxyethoxy)undecanoate.
What is the SMILES notation for methyl 11-(2-butan-2-yloxyethoxy)undecanoate?
The canonical SMILES for methyl 11-(2-butan-2-yloxyethoxy)undecanoate is CCC(C)OCCOCCCCCCCCCCC(=O)OC.
What is the InChIKey of methyl 11-(2-butan-2-yloxyethoxy)undecanoate?
The InChIKey is RGFLDHNCJKVHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4/c1-4-17(2)22-16-15-21-14-12-10-8-6-5-7-9-11-13-18(19)20-3/h17H,4-16H2,1-3H3.
What are the key properties of methyl 11-(2-butan-2-yloxyethoxy)undecanoate?
methyl 11-(2-butan-2-yloxyethoxy)undecanoate has a molecular weight of 316.48 g/mol, XLogP of 4.50, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-(2-butan-2-yloxyethoxy)undecanoate is sourced from PubChem (CID 58764403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).