cyclohexyl (E)-4-methylpent-2-enoate

C12H20O2 — CID 10058518

IUPACcyclohexyl (E)-4-methylpent-2-enoate
SMILESCC(C)/C=C/C(=O)OC1CCCCC1
InChIInChI=1S/C12H20O2/c1-10(2)8-9-12(13)14-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3/b9-8+
InChIKeyWPAGFYYUBUZBIW-CMDGGOBGSA-N
MW196.29 g/mol
LogP3.07
Rot. Bonds3

About cyclohexyl (E)-4-methylpent-2-enoate

cyclohexyl (E)-4-methylpent-2-enoate (PubChem CID 10058518) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is cyclohexyl (E)-4-methylpent-2-enoate.

Molecular Properties

Compound Namecyclohexyl (E)-4-methylpent-2-enoate
PubChem CID10058518
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namecyclohexyl (E)-4-methylpent-2-enoate
SMILESCC(C)/C=C/C(=O)OC1CCCCC1
InChIInChI=1S/C12H20O2/c1-10(2)8-9-12(13)14-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3/b9-8+
InChIKeyWPAGFYYUBUZBIW-CMDGGOBGSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.07
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 (E)-4-methylpent-2-enoate?
The IUPAC name of cyclohexyl (E)-4-methylpent-2-enoate (CID 10058518) is cyclohexyl (E)-4-methylpent-2-enoate.
What is the SMILES notation for cyclohexyl (E)-4-methylpent-2-enoate?
The canonical SMILES for cyclohexyl (E)-4-methylpent-2-enoate is CC(C)/C=C/C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (E)-4-methylpent-2-enoate?
The InChIKey is WPAGFYYUBUZBIW-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(2)8-9-12(13)14-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3/b9-8+.
What are the key properties of cyclohexyl (E)-4-methylpent-2-enoate?
cyclohexyl (E)-4-methylpent-2-enoate has a molecular weight of 196.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (E)-4-methylpent-2-enoate is sourced from PubChem (CID 10058518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).