3-(2-butoxyethoxy)butan-2-one

C10H20O3 — CID 43800225

IUPAC3-(2-butoxyethoxy)butan-2-one
SMILESCCCCOCCOC(C)C(C)=O
InChIInChI=1S/C10H20O3/c1-4-5-6-12-7-8-13-10(3)9(2)11/h10H,4-8H2,1-3H3
InChIKeyFIQBLCSYLNOHAS-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.80
Rot. Bonds8

About 3-(2-butoxyethoxy)butan-2-one

3-(2-butoxyethoxy)butan-2-one (PubChem CID 43800225) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)butan-2-one.

Molecular Properties

Compound Name3-(2-butoxyethoxy)butan-2-one
PubChem CID43800225
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-(2-butoxyethoxy)butan-2-one
SMILESCCCCOCCOC(C)C(C)=O
InChIInChI=1S/C10H20O3/c1-4-5-6-12-7-8-13-10(3)9(2)11/h10H,4-8H2,1-3H3
InChIKeyFIQBLCSYLNOHAS-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-pentoxybutan-2-one
CID 43801294
methyl (2R)-2-(2-butoxyethoxy)propanoate
CID 103337806
tert-butyl 2-(2-butoxyethoxy)propanoate
CID 66337185
1-butoxybutane;propan-2-one
CID 18424800
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propanethioamide
CID 104561989
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
acetic acid;1-butoxybutane
CID 22256220
2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one
CID 43800190
2-butoxypropanoic acid;4-(4-hydroxybutoxy)butan-1-ol
CID 87566742
4-(2-butoxyethoxy)pentanoic acid
CID 62213441
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)butan-2-one?
The IUPAC name of 3-(2-butoxyethoxy)butan-2-one (CID 43800225) is 3-(2-butoxyethoxy)butan-2-one.
What is the SMILES notation for 3-(2-butoxyethoxy)butan-2-one?
The canonical SMILES for 3-(2-butoxyethoxy)butan-2-one is CCCCOCCOC(C)C(C)=O.
What is the InChIKey of 3-(2-butoxyethoxy)butan-2-one?
The InChIKey is FIQBLCSYLNOHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-5-6-12-7-8-13-10(3)9(2)11/h10H,4-8H2,1-3H3.
What are the key properties of 3-(2-butoxyethoxy)butan-2-one?
3-(2-butoxyethoxy)butan-2-one has a molecular weight of 188.27 g/mol, XLogP of 1.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)butan-2-one is sourced from PubChem (CID 43800225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).