(Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal

C13H18O — CID 10559589

IUPAC(Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal
SMILESCC1=C(C)/C(=C/C(C)=C\C=O)CCC1
InChIInChI=1S/C13H18O/c1-10(7-8-14)9-13-6-4-5-11(2)12(13)3/h7-9H,4-6H2,1-3H3/b10-7-,13-9+
InChIKeyWYIUIMZQDOMXMR-JWUMZWSUSA-N
MW190.29 g/mol
LogP3.58
Rot. Bonds2

About (Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal

(Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal (PubChem CID 10559589) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal.

Molecular Properties

Compound Name(Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal
PubChem CID10559589
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal
SMILESCC1=C(C)/C(=C/C(C)=C\C=O)CCC1
InChIInChI=1S/C13H18O/c1-10(7-8-14)9-13-6-4-5-11(2)12(13)3/h7-9H,4-6H2,1-3H3/b10-7-,13-9+
InChIKeyWYIUIMZQDOMXMR-JWUMZWSUSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.58
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'}

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Related Compounds

(2E,4E,6E,8E)-3,7-dimethyl-8-(3-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)octa-2,4,6-trienoic acid
CID 10086191
(2E,4E)-3,7-dimethyl-8-(3-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)octa-2,4,6-trienoic acid
CID 173469610
(E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal
CID 10749508
(4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
CID 148810051
(2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal
CID 142351999
3,6,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
CID 85168993
(2E,4E,6Z,8Z)-6-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
CID 23235045
(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
CID 6436082
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal;(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
CID 162052788
(2E,4Z,6E,8E)-8-[(3aS)-3a-methyl-3,4,5,6-tetrahydro-2H-inden-1-ylidene]-3,7-dimethylocta-2,4,6-trienal
CID 102463347
CID 173018096
CID 173018096
3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enal
CID 141476542

Frequently Asked Questions

What is the IUPAC name of (Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal?
The IUPAC name of (Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal (CID 10559589) is (Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal.
What is the SMILES notation for (Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal?
The canonical SMILES for (Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal is CC1=C(C)/C(=C/C(C)=C\C=O)CCC1.
What is the InChIKey of (Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal?
The InChIKey is WYIUIMZQDOMXMR-JWUMZWSUSA-N. The full InChI is InChI=1S/C13H18O/c1-10(7-8-14)9-13-6-4-5-11(2)12(13)3/h7-9H,4-6H2,1-3H3/b10-7-,13-9+.
What are the key properties of (Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal?
(Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal has a molecular weight of 190.29 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal is sourced from PubChem (CID 10559589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).