butyl 8-oxodecanoate

C14H26O3 — CID 101282189

IUPACbutyl 8-oxodecanoate
SMILESCCCCOC(=O)CCCCCCC(=O)CC
InChIInChI=1S/C14H26O3/c1-3-5-12-17-14(16)11-9-7-6-8-10-13(15)4-2/h3-12H2,1-2H3
InChIKeyASFPJTIJTBJCRF-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.65
Rot. Bonds11

About butyl 8-oxodecanoate

butyl 8-oxodecanoate (PubChem CID 101282189) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is butyl 8-oxodecanoate.

Molecular Properties

Compound Namebutyl 8-oxodecanoate
PubChem CID101282189
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Namebutyl 8-oxodecanoate
SMILESCCCCOC(=O)CCCCCCC(=O)CC
InChIInChI=1S/C14H26O3/c1-3-5-12-17-14(16)11-9-7-6-8-10-13(15)4-2/h3-12H2,1-2H3
InChIKeyASFPJTIJTBJCRF-UHFFFAOYSA-N
XLogP3.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.65
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

dibutyl heptadecanedioate
CID 87117348
butyl dodecanoate;stannane
CID 173127459
butyl nonadecanoate
CID 3015296
butyl octadecanoate;stannane
CID 173304092
butyl pentacosanoate
CID 54548273
1-O-butyl 7-O-dodecyl heptanedioate
CID 91732656
butyl octadecanoate;octyl hexadecanoate
CID 175006742
1-O-butyl 6-O-decyl hexanedioate
CID 3018277
1-O-butyl 7-O-nonyl heptanedioate
CID 91732654
butan-2-one;butyl octadecanoate
CID 161382487
butyl hexanoate;λ2-stannane
CID 174326470
octyl decanoate
CID 175814959

Frequently Asked Questions

What is the IUPAC name of butyl 8-oxodecanoate?
The IUPAC name of butyl 8-oxodecanoate (CID 101282189) is butyl 8-oxodecanoate.
What is the SMILES notation for butyl 8-oxodecanoate?
The canonical SMILES for butyl 8-oxodecanoate is CCCCOC(=O)CCCCCCC(=O)CC.
What is the InChIKey of butyl 8-oxodecanoate?
The InChIKey is ASFPJTIJTBJCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-5-12-17-14(16)11-9-7-6-8-10-13(15)4-2/h3-12H2,1-2H3.
What are the key properties of butyl 8-oxodecanoate?
butyl 8-oxodecanoate has a molecular weight of 242.36 g/mol, XLogP of 3.65, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 8-oxodecanoate is sourced from PubChem (CID 101282189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).