2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate

C14H26O4 — CID 91589712

IUPAC2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate
SMILESCCCCC(C)OCCOCCOC(=O)C1CC1
InChIInChI=1S/C14H26O4/c1-3-4-5-12(2)17-10-8-16-9-11-18-14(15)13-6-7-13/h12-13H,3-11H2,1-2H3
InChIKeyNUBCAHXHMWWVRX-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.55
Rot. Bonds11

About 2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate

2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate (PubChem CID 91589712) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate.

Molecular Properties

Compound Name2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate
PubChem CID91589712
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate
SMILESCCCCC(C)OCCOCCOC(=O)C1CC1
InChIInChI=1S/C14H26O4/c1-3-4-5-12(2)17-10-8-16-9-11-18-14(15)13-6-7-13/h12-13H,3-11H2,1-2H3
InChIKeyNUBCAHXHMWWVRX-UHFFFAOYSA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate?
The IUPAC name of 2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate (CID 91589712) is 2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate.
What is the SMILES notation for 2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate?
The canonical SMILES for 2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate is CCCCC(C)OCCOCCOC(=O)C1CC1.
What is the InChIKey of 2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate?
The InChIKey is NUBCAHXHMWWVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-3-4-5-12(2)17-10-8-16-9-11-18-14(15)13-6-7-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate?
2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate has a molecular weight of 258.36 g/mol, XLogP of 2.55, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexan-2-yloxyethoxy)ethyl cyclopropanecarboxylate is sourced from PubChem (CID 91589712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).