2-butoxyethyl acetate;4-methylpentan-2-one

C14H28O4 — CID 157145416

IUPAC2-butoxyethyl acetate;4-methylpentan-2-one
SMILESCC(=O)CC(C)C.CCCCOCCOC(C)=O
InChIInChI=1S/C8H16O3.C6H12O/c1-3-4-5-10-6-7-11-8(2)9;1-5(2)4-6(3)7/h3-7H2,1-2H3;5H,4H2,1-3H3
InChIKeyAKQJSYRCBFJNAF-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.99
Rot. Bonds8

About 2-butoxyethyl acetate;4-methylpentan-2-one

2-butoxyethyl acetate;4-methylpentan-2-one (PubChem CID 157145416) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-butoxyethyl acetate;4-methylpentan-2-one.

Molecular Properties

Compound Name2-butoxyethyl acetate;4-methylpentan-2-one
PubChem CID157145416
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name2-butoxyethyl acetate;4-methylpentan-2-one
SMILESCC(=O)CC(C)C.CCCCOCCOC(C)=O
InChIInChI=1S/C8H16O3.C6H12O/c1-3-4-5-10-6-7-11-8(2)9;1-5(2)4-6(3)7/h3-7H2,1-2H3;5H,4H2,1-3H3
InChIKeyAKQJSYRCBFJNAF-UHFFFAOYSA-N
XLogP2.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.99
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

butan-2-one;butyl acetate;4-methylpentan-2-one
CID 165016573
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-(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
butyl acetate;2-methylpropan-1-ol
CID 118093159

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl acetate;4-methylpentan-2-one?
The IUPAC name of 2-butoxyethyl acetate;4-methylpentan-2-one (CID 157145416) is 2-butoxyethyl acetate;4-methylpentan-2-one.
What is the SMILES notation for 2-butoxyethyl acetate;4-methylpentan-2-one?
The canonical SMILES for 2-butoxyethyl acetate;4-methylpentan-2-one is CC(=O)CC(C)C.CCCCOCCOC(C)=O.
What is the InChIKey of 2-butoxyethyl acetate;4-methylpentan-2-one?
The InChIKey is AKQJSYRCBFJNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C6H12O/c1-3-4-5-10-6-7-11-8(2)9;1-5(2)4-6(3)7/h3-7H2,1-2H3;5H,4H2,1-3H3.
What are the key properties of 2-butoxyethyl acetate;4-methylpentan-2-one?
2-butoxyethyl acetate;4-methylpentan-2-one has a molecular weight of 260.37 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl acetate;4-methylpentan-2-one is sourced from PubChem (CID 157145416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).