propyl 4-(2-propan-2-yloxyethoxy)butanoate

C12H24O4 — CID 121469615

IUPACpropyl 4-(2-propan-2-yloxyethoxy)butanoate
SMILESCCCOC(=O)CCCOCCOC(C)C
InChIInChI=1S/C12H24O4/c1-4-7-16-12(13)6-5-8-14-9-10-15-11(2)3/h11H,4-10H2,1-3H3
InChIKeyZVUDINPDMWKTIV-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.16
Rot. Bonds10

About propyl 4-(2-propan-2-yloxyethoxy)butanoate

propyl 4-(2-propan-2-yloxyethoxy)butanoate (PubChem CID 121469615) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is propyl 4-(2-propan-2-yloxyethoxy)butanoate.

Molecular Properties

Compound Namepropyl 4-(2-propan-2-yloxyethoxy)butanoate
PubChem CID121469615
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Namepropyl 4-(2-propan-2-yloxyethoxy)butanoate
SMILESCCCOC(=O)CCCOCCOC(C)C
InChIInChI=1S/C12H24O4/c1-4-7-16-12(13)6-5-8-14-9-10-15-11(2)3/h11H,4-10H2,1-3H3
InChIKeyZVUDINPDMWKTIV-UHFFFAOYSA-N
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.16
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

heptyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121470147
octyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121469565
dodecyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121469697
bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate
CID 122472522
propyl 5-propan-2-yloxypentanoate
CID 161272990
propyl 4-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butanoate
CID 121470462
propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470201
propyl 4-(2-nonoxyethoxy)butanoate
CID 121469405
2-butyloctyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121469346
ethyl 4-propan-2-yloxybutanoate
CID 59323565
pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469616
dodecyl 4-(2-decoxyethoxy)butanoate
CID 121469874

Frequently Asked Questions

What is the IUPAC name of propyl 4-(2-propan-2-yloxyethoxy)butanoate?
The IUPAC name of propyl 4-(2-propan-2-yloxyethoxy)butanoate (CID 121469615) is propyl 4-(2-propan-2-yloxyethoxy)butanoate.
What is the SMILES notation for propyl 4-(2-propan-2-yloxyethoxy)butanoate?
The canonical SMILES for propyl 4-(2-propan-2-yloxyethoxy)butanoate is CCCOC(=O)CCCOCCOC(C)C.
What is the InChIKey of propyl 4-(2-propan-2-yloxyethoxy)butanoate?
The InChIKey is ZVUDINPDMWKTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-4-7-16-12(13)6-5-8-14-9-10-15-11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of propyl 4-(2-propan-2-yloxyethoxy)butanoate?
propyl 4-(2-propan-2-yloxyethoxy)butanoate has a molecular weight of 232.32 g/mol, XLogP of 2.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(2-propan-2-yloxyethoxy)butanoate is sourced from PubChem (CID 121469615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).