(2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal

C14H20O — CID 142351999

IUPAC(2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal
SMILESCC1=C(/C=C/C(C)=C\C=O)C(C)CCC1
InChIInChI=1S/C14H20O/c1-11(9-10-15)7-8-14-12(2)5-4-6-13(14)3/h7-10,12H,4-6H2,1-3H3/b8-7+,11-9-
InChIKeySEYYBANZAYZYTE-OHFYBLQUSA-N
MW204.31 g/mol
LogP3.82
Rot. Bonds3

About (2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal

(2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal (PubChem CID 142351999) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal.

Molecular Properties

Compound Name(2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal
PubChem CID142351999
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal
SMILESCC1=C(/C=C/C(C)=C\C=O)C(C)CCC1
InChIInChI=1S/C14H20O/c1-11(9-10-15)7-8-14-12(2)5-4-6-13(14)3/h7-10,12H,4-6H2,1-3H3/b8-7+,11-9-
InChIKeySEYYBANZAYZYTE-OHFYBLQUSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.82
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,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal?
The IUPAC name of (2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal (CID 142351999) is (2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal.
What is the SMILES notation for (2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal?
The canonical SMILES for (2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal is CC1=C(/C=C/C(C)=C\C=O)C(C)CCC1.
What is the InChIKey of (2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal?
The InChIKey is SEYYBANZAYZYTE-OHFYBLQUSA-N. The full InChI is InChI=1S/C14H20O/c1-11(9-10-15)7-8-14-12(2)5-4-6-13(14)3/h7-10,12H,4-6H2,1-3H3/b8-7+,11-9-.
What are the key properties of (2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal?
(2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal has a molecular weight of 204.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal is sourced from PubChem (CID 142351999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).