2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate

C18H36O7 — CID 158130160

IUPAC2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
SMILESCCCCOCCOC(C)=O.CCCCOCCOCCOC(C)=O
InChIInChI=1S/C10H20O4.C8H16O3/c1-3-4-5-12-6-7-13-8-9-14-10(2)11;1-3-4-5-10-6-7-11-8(2)9/h3-9H2,1-2H3;3-7H2,1-2H3
InChIKeyFSRDWLWYTMLMIC-UHFFFAOYSA-N
MW364.48 g/mol
LogP2.75
Rot. Bonds15

About 2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate

2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate (PubChem CID 158130160) has the molecular formula C18H36O7 and a molecular weight of 364.48 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
PubChem CID158130160
Molecular FormulaC18H36O7
Molecular Weight364.48 g/mol
Exact Mass364.25
IUPAC Name2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
SMILESCCCCOCCOC(C)=O.CCCCOCCOCCOC(C)=O
InChIInChI=1S/C10H20O4.C8H16O3/c1-3-4-5-12-6-7-13-8-9-14-10(2)11;1-3-4-5-10-6-7-11-8(2)9/h3-9H2,1-2H3;3-7H2,1-2H3
InChIKeyFSRDWLWYTMLMIC-UHFFFAOYSA-N
XLogP2.75
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
2-butoxyethyl acetate;silver
CID 87311971
2-(2-butoxyethoxy)ethyl acetate;methane
CID 87739734
2-butoxyethyl acetate;2-propoxyethyl acetate
CID 88726109
2-butoxyethyl acetate;propyl acetate
CID 19764185
1-(2-butoxyethoxy)butane;2-methoxyethyl acetate
CID 90456855
2-(2-decoxyethoxy)ethyl acetate
CID 526732
potassium;hydride;2-tetradecoxyethyl acetate
CID 174815000
2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
CID 161493790
2-butoxyethyl acetate;4-methylpentan-2-one
CID 157145416
2-acetyloxyethyl acetate;hexane
CID 137406148
2-(2-butoxyethoxy)ethanol;pentyl acetate
CID 159514789

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate?
The IUPAC name of 2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate (CID 158130160) is 2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate.
What is the SMILES notation for 2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate?
The canonical SMILES for 2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate is CCCCOCCOC(C)=O.CCCCOCCOCCOC(C)=O.
What is the InChIKey of 2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate?
The InChIKey is FSRDWLWYTMLMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4.C8H16O3/c1-3-4-5-12-6-7-13-8-9-14-10(2)11;1-3-4-5-10-6-7-11-8(2)9/h3-9H2,1-2H3;3-7H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate?
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate has a molecular weight of 364.48 g/mol, XLogP of 2.75, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate is sourced from PubChem (CID 158130160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).