(2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid

C16H20O2 — CID 10490506

IUPAC(2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid
SMILESC/C(=C\C(=O)O)/C=C/C=C(\C)/C=C\1/CCCC=C1
InChIInChI=1S/C16H20O2/c1-13(11-15-9-4-3-5-10-15)7-6-8-14(2)12-16(17)18/h4,6-9,11-12H,3,5,10H2,1-2H3,(H,17,18)/b8-6+,13-7+,14-12+,15-11+
InChIKeyKGGAJOWMYFTOQC-HELAHVATSA-N
MW244.33 g/mol
LogP4.70
Rot. Bonds4

About (2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid

(2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid (PubChem CID 10490506) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid.

Molecular Properties

Compound Name(2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid
PubChem CID10490506
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid
SMILESC/C(=C\C(=O)O)/C=C/C=C(\C)/C=C\1/CCCC=C1
InChIInChI=1S/C16H20O2/c1-13(11-15-9-4-3-5-10-15)7-6-8-14(2)12-16(17)18/h4,6-9,11-12H,3,5,10H2,1-2H3,(H,17,18)/b8-6+,13-7+,14-12+,15-11+
InChIKeyKGGAJOWMYFTOQC-HELAHVATSA-N
XLogP4.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity446

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid with MolForge

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Launch Full Analysis

Related Compounds

Isotretinoin
CID 5282379
Retinoic Acid
CID 444795
9-Cis-Retinoic Acid
CID 449171
Norbixin
CID 5281249
Geranic acid
CID 5275520
3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
CID 5538
3,7-Dimethylocta-2,6-dienoic acid
CID 9989
Acyclic retinoid
CID 6437836
9,13-Di-cis-retinoic acid
CID 6419708
Neranic acid
CID 5312583
3,4-Didehydroretinoic acid
CID 447276
2E,4E-Dodecadienoic acid
CID 5312382

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid?
The IUPAC name of (2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid (CID 10490506) is (2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid.
What is the SMILES notation for (2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid?
The canonical SMILES for (2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid is C/C(=C\C(=O)O)/C=C/C=C(\C)/C=C\1/CCCC=C1.
What is the InChIKey of (2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid?
The InChIKey is KGGAJOWMYFTOQC-HELAHVATSA-N. The full InChI is InChI=1S/C16H20O2/c1-13(11-15-9-4-3-5-10-15)7-6-8-14(2)12-16(17)18/h4,6-9,11-12H,3,5,10H2,1-2H3,(H,17,18)/b8-6+,13-7+,14-12+,15-11+.
What are the key properties of (2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid?
(2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid has a molecular weight of 244.33 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid is sourced from PubChem (CID 10490506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).