(2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal

C15H20O — CID 6444035

IUPAC(2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal
SMILESO=C/C=C\C=C/C=C\C=C/C1CCCCC1
InChIInChI=1S/C15H20O/c16-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h1-5,7,10-11,14-15H,6,8-9,12-13H2/b3-1-,4-2-,10-5-,11-7-
InChIKeyJOSULPBJOHYCCP-FOWUHHELSA-N
MW216.32 g/mol
LogP3.99
Rot. Bonds5

About (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal

(2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal (PubChem CID 6444035) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal.

Molecular Properties

Compound Name(2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal
PubChem CID6444035
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal
SMILESO=C/C=C\C=C/C=C\C=C/C1CCCCC1
InChIInChI=1S/C15H20O/c16-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h1-5,7,10-11,14-15H,6,8-9,12-13H2/b3-1-,4-2-,10-5-,11-7-
InChIKeyJOSULPBJOHYCCP-FOWUHHELSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal?
The IUPAC name of (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal (CID 6444035) is (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal.
What is the SMILES notation for (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal?
The canonical SMILES for (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal is O=C/C=C\C=C/C=C\C=C/C1CCCCC1.
What is the InChIKey of (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal?
The InChIKey is JOSULPBJOHYCCP-FOWUHHELSA-N. The full InChI is InChI=1S/C15H20O/c16-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h1-5,7,10-11,14-15H,6,8-9,12-13H2/b3-1-,4-2-,10-5-,11-7-.
What are the key properties of (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal?
(2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal has a molecular weight of 216.32 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal is sourced from PubChem (CID 6444035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).