butyl acetate;furan

C10H16O3 — CID 159363769

IUPACbutyl acetate;furan
SMILESCCCCOC(C)=O.c1ccoc1
InChIInChI=1S/C6H12O2.C4H4O/c1-3-4-5-8-6(2)7;1-2-4-5-3-1/h3-5H2,1-2H3;1-4H
InChIKeyLIWDJIDGIMICJH-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.63
Rot. Bonds3

About butyl acetate;furan

butyl acetate;furan (PubChem CID 159363769) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is butyl acetate;furan.

Molecular Properties

Compound Namebutyl acetate;furan
PubChem CID159363769
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Namebutyl acetate;furan
SMILESCCCCOC(C)=O.c1ccoc1
InChIInChI=1S/C6H12O2.C4H4O/c1-3-4-5-8-6(2)7;1-2-4-5-3-1/h3-5H2,1-2H3;1-4H
InChIKeyLIWDJIDGIMICJH-UHFFFAOYSA-N
XLogP2.63
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.63
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

CID 159701402
CID 159701402
CID 159328585
CID 159328585
CID 87429945
CID 87429945
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CID 67420594
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CID 174832794
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CID 174803356

Frequently Asked Questions

What is the IUPAC name of butyl acetate;furan?
The IUPAC name of butyl acetate;furan (CID 159363769) is butyl acetate;furan.
What is the SMILES notation for butyl acetate;furan?
The canonical SMILES for butyl acetate;furan is CCCCOC(C)=O.c1ccoc1.
What is the InChIKey of butyl acetate;furan?
The InChIKey is LIWDJIDGIMICJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H4O/c1-3-4-5-8-6(2)7;1-2-4-5-3-1/h3-5H2,1-2H3;1-4H.
What are the key properties of butyl acetate;furan?
butyl acetate;furan has a molecular weight of 184.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl acetate;furan is sourced from PubChem (CID 159363769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).