cyclohexyl 4,4-dimethyl-2-methylidenepentanoate

C14H24O2 — CID 25144548

IUPACcyclohexyl 4,4-dimethyl-2-methylidenepentanoate
SMILESC=C(CC(C)(C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C14H24O2/c1-11(10-14(2,3)4)13(15)16-12-8-6-5-7-9-12/h12H,1,5-10H2,2-4H3
InChIKeyCHVHPJSDQIUENK-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds3

About cyclohexyl 4,4-dimethyl-2-methylidenepentanoate

cyclohexyl 4,4-dimethyl-2-methylidenepentanoate (PubChem CID 25144548) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is cyclohexyl 4,4-dimethyl-2-methylidenepentanoate.

Molecular Properties

Compound Namecyclohexyl 4,4-dimethyl-2-methylidenepentanoate
PubChem CID25144548
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namecyclohexyl 4,4-dimethyl-2-methylidenepentanoate
SMILESC=C(CC(C)(C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C14H24O2/c1-11(10-14(2,3)4)13(15)16-12-8-6-5-7-9-12/h12H,1,5-10H2,2-4H3
InChIKeyCHVHPJSDQIUENK-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.85
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 cyclohexyl 4,4-dimethyl-2-methylidenepentanoate?
The IUPAC name of cyclohexyl 4,4-dimethyl-2-methylidenepentanoate (CID 25144548) is cyclohexyl 4,4-dimethyl-2-methylidenepentanoate.
What is the SMILES notation for cyclohexyl 4,4-dimethyl-2-methylidenepentanoate?
The canonical SMILES for cyclohexyl 4,4-dimethyl-2-methylidenepentanoate is C=C(CC(C)(C)C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 4,4-dimethyl-2-methylidenepentanoate?
The InChIKey is CHVHPJSDQIUENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(10-14(2,3)4)13(15)16-12-8-6-5-7-9-12/h12H,1,5-10H2,2-4H3.
What are the key properties of cyclohexyl 4,4-dimethyl-2-methylidenepentanoate?
cyclohexyl 4,4-dimethyl-2-methylidenepentanoate has a molecular weight of 224.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4,4-dimethyl-2-methylidenepentanoate is sourced from PubChem (CID 25144548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).