2-(2-butoxyethoxy)ethyl acetate;methane

C11H24O4 — CID 87739734

IUPAC2-(2-butoxyethoxy)ethyl acetate;methane
SMILESC.CCCCOCCOCCOC(C)=O
InChIInChI=1S/C10H20O4.CH4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11;/h3-9H2,1-2H3;1H4
InChIKeyLRQDYDBDKFVJCU-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.02
Rot. Bonds9

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

2-(2-butoxyethoxy)ethyl acetate;methane (PubChem CID 87739734) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethyl acetate;methane.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethyl acetate;methane
PubChem CID87739734
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name2-(2-butoxyethoxy)ethyl acetate;methane
SMILESC.CCCCOCCOCCOC(C)=O
InChIInChI=1S/C10H20O4.CH4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11;/h3-9H2,1-2H3;1H4
InChIKeyLRQDYDBDKFVJCU-UHFFFAOYSA-N
XLogP2.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.02
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

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-butoxyethyl acetate;silver
CID 87311971
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;methane?
The IUPAC name of 2-(2-butoxyethoxy)ethyl acetate;methane (CID 87739734) is 2-(2-butoxyethoxy)ethyl acetate;methane.
What is the SMILES notation for 2-(2-butoxyethoxy)ethyl acetate;methane?
The canonical SMILES for 2-(2-butoxyethoxy)ethyl acetate;methane is C.CCCCOCCOCCOC(C)=O.
What is the InChIKey of 2-(2-butoxyethoxy)ethyl acetate;methane?
The InChIKey is LRQDYDBDKFVJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4.CH4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11;/h3-9H2,1-2H3;1H4.
What are the key properties of 2-(2-butoxyethoxy)ethyl acetate;methane?
2-(2-butoxyethoxy)ethyl acetate;methane has a molecular weight of 220.31 g/mol, XLogP of 2.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethyl acetate;methane is sourced from PubChem (CID 87739734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).