dec-8-en-3-yl 2-cyclohexyl-2-oxoacetate

C18H30O3 — CID 166792447

IUPACdec-8-en-3-yl 2-cyclohexyl-2-oxoacetate
SMILESCC=CCCCCC(CC)OC(=O)C(=O)C1CCCCC1
InChIInChI=1S/C18H30O3/c1-3-5-6-7-11-14-16(4-2)21-18(20)17(19)15-12-9-8-10-13-15/h3,5,15-16H,4,6-14H2,1-2H3
InChIKeyLTWDURYVJFILTH-UHFFFAOYSA-N
MW294.43 g/mol
LogP4.59
Rot. Bonds9

About dec-8-en-3-yl 2-cyclohexyl-2-oxoacetate

dec-8-en-3-yl 2-cyclohexyl-2-oxoacetate (PubChem CID 166792447) has the molecular formula C18H30O3 and a molecular weight of 294.43 g/mol. Its IUPAC name is dec-8-en-3-yl 2-cyclohexyl-2-oxoacetate.

Molecular Properties

Compound Namedec-8-en-3-yl 2-cyclohexyl-2-oxoacetate
PubChem CID166792447
Molecular FormulaC18H30O3
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Namedec-8-en-3-yl 2-cyclohexyl-2-oxoacetate
SMILESCC=CCCCCC(CC)OC(=O)C(=O)C1CCCCC1
InChIInChI=1S/C18H30O3/c1-3-5-6-7-11-14-16(4-2)21-18(20)17(19)15-12-9-8-10-13-15/h3,5,15-16H,4,6-14H2,1-2H3
InChIKeyLTWDURYVJFILTH-UHFFFAOYSA-N
XLogP4.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dec-8-en-3-yl 2-cyclohexyl-2-oxoacetate?
The IUPAC name of dec-8-en-3-yl 2-cyclohexyl-2-oxoacetate (CID 166792447) is dec-8-en-3-yl 2-cyclohexyl-2-oxoacetate.
What is the SMILES notation for dec-8-en-3-yl 2-cyclohexyl-2-oxoacetate?
The canonical SMILES for dec-8-en-3-yl 2-cyclohexyl-2-oxoacetate is CC=CCCCCC(CC)OC(=O)C(=O)C1CCCCC1.
What is the InChIKey of dec-8-en-3-yl 2-cyclohexyl-2-oxoacetate?
The InChIKey is LTWDURYVJFILTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-3-5-6-7-11-14-16(4-2)21-18(20)17(19)15-12-9-8-10-13-15/h3,5,15-16H,4,6-14H2,1-2H3.
What are the key properties of dec-8-en-3-yl 2-cyclohexyl-2-oxoacetate?
dec-8-en-3-yl 2-cyclohexyl-2-oxoacetate has a molecular weight of 294.43 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dec-8-en-3-yl 2-cyclohexyl-2-oxoacetate is sourced from PubChem (CID 166792447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).