cyclohexyl (2E)-nona-2,8-dienoate

C15H24O2 — CID 10933500

IUPACcyclohexyl (2E)-nona-2,8-dienoate
SMILESC=CCCCC/C=C/C(=O)OC1CCCCC1
InChIInChI=1S/C15H24O2/c1-2-3-4-5-6-10-13-15(16)17-14-11-8-7-9-12-14/h2,10,13-14H,1,3-9,11-12H2/b13-10+
InChIKeySLCCWVCVNLGBQN-JLHYYAGUSA-N
MW236.35 g/mol
LogP4.16
Rot. Bonds7

About cyclohexyl (2E)-nona-2,8-dienoate

cyclohexyl (2E)-nona-2,8-dienoate (PubChem CID 10933500) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is cyclohexyl (2E)-nona-2,8-dienoate.

Molecular Properties

Compound Namecyclohexyl (2E)-nona-2,8-dienoate
PubChem CID10933500
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namecyclohexyl (2E)-nona-2,8-dienoate
SMILESC=CCCCC/C=C/C(=O)OC1CCCCC1
InChIInChI=1S/C15H24O2/c1-2-3-4-5-6-10-13-15(16)17-14-11-8-7-9-12-14/h2,10,13-14H,1,3-9,11-12H2/b13-10+
InChIKeySLCCWVCVNLGBQN-JLHYYAGUSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2E)-nona-2,8-dienoate?
The IUPAC name of cyclohexyl (2E)-nona-2,8-dienoate (CID 10933500) is cyclohexyl (2E)-nona-2,8-dienoate.
What is the SMILES notation for cyclohexyl (2E)-nona-2,8-dienoate?
The canonical SMILES for cyclohexyl (2E)-nona-2,8-dienoate is C=CCCCC/C=C/C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (2E)-nona-2,8-dienoate?
The InChIKey is SLCCWVCVNLGBQN-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-3-4-5-6-10-13-15(16)17-14-11-8-7-9-12-14/h2,10,13-14H,1,3-9,11-12H2/b13-10+.
What are the key properties of cyclohexyl (2E)-nona-2,8-dienoate?
cyclohexyl (2E)-nona-2,8-dienoate has a molecular weight of 236.35 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2E)-nona-2,8-dienoate is sourced from PubChem (CID 10933500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).