2-butoxyethyl acetate;2-phenoxyethyl acetate

C18H28O6 — CID 159790412

IUPAC2-butoxyethyl acetate;2-phenoxyethyl acetate
SMILESCC(=O)OCCOc1ccccc1.CCCCOCCOC(C)=O
InChIInChI=1S/C10H12O3.C8H16O3/c1-9(11)12-7-8-13-10-5-3-2-4-6-10;1-3-4-5-10-6-7-11-8(2)9/h2-6H,7-8H2,1H3;3-7H2,1-2H3
InChIKeyNIMGVHIKKAKAAA-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.99
Rot. Bonds10

About 2-butoxyethyl acetate;2-phenoxyethyl acetate

2-butoxyethyl acetate;2-phenoxyethyl acetate (PubChem CID 159790412) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-butoxyethyl acetate;2-phenoxyethyl acetate.

Molecular Properties

Compound Name2-butoxyethyl acetate;2-phenoxyethyl acetate
PubChem CID159790412
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name2-butoxyethyl acetate;2-phenoxyethyl acetate
SMILESCC(=O)OCCOc1ccccc1.CCCCOCCOC(C)=O
InChIInChI=1S/C10H12O3.C8H16O3/c1-9(11)12-7-8-13-10-5-3-2-4-6-10;1-3-4-5-10-6-7-11-8(2)9/h2-6H,7-8H2,1H3;3-7H2,1-2H3
InChIKeyNIMGVHIKKAKAAA-UHFFFAOYSA-N
XLogP2.99
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;butoxybenzene
CID 162338086
2-(2-phenoxyethoxy)ethyl octadecanoate
CID 18459535
2-pentoxyethoxybenzene
CID 54431229
butyl 2-(2-phenoxyethoxy)acetate
CID 54941982
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
2-(4-phenylphenoxy)ethyl acetate
CID 101023594
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide
CID 142386396
2-(2-butoxyethoxy)ethyl acetate;methane
CID 87739734
2-butoxyethyl acetate;silver
CID 87311971

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl acetate;2-phenoxyethyl acetate?
The IUPAC name of 2-butoxyethyl acetate;2-phenoxyethyl acetate (CID 159790412) is 2-butoxyethyl acetate;2-phenoxyethyl acetate.
What is the SMILES notation for 2-butoxyethyl acetate;2-phenoxyethyl acetate?
The canonical SMILES for 2-butoxyethyl acetate;2-phenoxyethyl acetate is CC(=O)OCCOc1ccccc1.CCCCOCCOC(C)=O.
What is the InChIKey of 2-butoxyethyl acetate;2-phenoxyethyl acetate?
The InChIKey is NIMGVHIKKAKAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.C8H16O3/c1-9(11)12-7-8-13-10-5-3-2-4-6-10;1-3-4-5-10-6-7-11-8(2)9/h2-6H,7-8H2,1H3;3-7H2,1-2H3.
What are the key properties of 2-butoxyethyl acetate;2-phenoxyethyl acetate?
2-butoxyethyl acetate;2-phenoxyethyl acetate has a molecular weight of 340.42 g/mol, XLogP of 2.99, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl acetate;2-phenoxyethyl acetate is sourced from PubChem (CID 159790412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).