ethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate

C15H26O2 — CID 166448323

IUPACethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate
SMILESC=C(CC(C)(C)C1CCCCC1)C(=O)OCC
InChIInChI=1S/C15H26O2/c1-5-17-14(16)12(2)11-15(3,4)13-9-7-6-8-10-13/h13H,2,5-11H2,1,3-4H3
InChIKeySTXDALUKJUETGN-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.10
Rot. Bonds5

About ethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate

ethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate (PubChem CID 166448323) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate.

Molecular Properties

Compound Nameethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate
PubChem CID166448323
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate
SMILESC=C(CC(C)(C)C1CCCCC1)C(=O)OCC
InChIInChI=1S/C15H26O2/c1-5-17-14(16)12(2)11-15(3,4)13-9-7-6-8-10-13/h13H,2,5-11H2,1,3-4H3
InChIKeySTXDALUKJUETGN-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate?
The IUPAC name of ethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate (CID 166448323) is ethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate.
What is the SMILES notation for ethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate?
The canonical SMILES for ethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate is C=C(CC(C)(C)C1CCCCC1)C(=O)OCC.
What is the InChIKey of ethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate?
The InChIKey is STXDALUKJUETGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-17-14(16)12(2)11-15(3,4)13-9-7-6-8-10-13/h13H,2,5-11H2,1,3-4H3.
What are the key properties of ethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate?
ethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate has a molecular weight of 238.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate is sourced from PubChem (CID 166448323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).