(2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid

C22H30O2 — CID 10314319

IUPAC(2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C(=O)O)C(C)(C)CCC1
InChIInChI=1S/C22H30O2/c1-17(11-7-13-21(23)24)9-6-10-18(2)14-15-20-19(3)12-8-16-22(20,4)5/h6-7,9-11,13-15H,8,12,16H2,1-5H3,(H,23,24)/b9-6+,13-7+,15-14+,17-11+,18-10+
InChIKeyCWAIPBKZSWRXCS-SNVHKSNESA-N
MW326.48 g/mol
LogP6.16
Rot. Bonds6

About (2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid

(2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid (PubChem CID 10314319) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid
PubChem CID10314319
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name(2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C(=O)O)C(C)(C)CCC1
InChIInChI=1S/C22H30O2/c1-17(11-7-13-21(23)24)9-6-10-18(2)14-15-20-19(3)12-8-16-22(20,4)5/h6-7,9-11,13-15H,8,12,16H2,1-5H3,(H,23,24)/b9-6+,13-7+,15-14+,17-11+,18-10+
InChIKeyCWAIPBKZSWRXCS-SNVHKSNESA-N
XLogP6.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid with MolForge

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Launch Full Analysis

Related Compounds

Retinoic Acid
CID 444795
9-Cis-Retinoic Acid
CID 449171
Isotretinoin
CID 5282379
3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
CID 5538
Retinyl Ester
CID 5460164
Torularhodin
CID 5281248
4-Oxoretinoic acid
CID 6437063
3,4-Didehydroretinoic acid
CID 447276
9,13-Di-cis-retinoic acid
CID 6419708
all-trans-Retinoate
CID 6419707
11-cis-Retinoic acid
CID 9796370
9-cis-Retinoate
CID 7364357

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid?
The IUPAC name of (2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid (CID 10314319) is (2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid.
What is the SMILES notation for (2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid?
The canonical SMILES for (2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C(=O)O)C(C)(C)CCC1.
What is the InChIKey of (2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid?
The InChIKey is CWAIPBKZSWRXCS-SNVHKSNESA-N. The full InChI is InChI=1S/C22H30O2/c1-17(11-7-13-21(23)24)9-6-10-18(2)14-15-20-19(3)12-8-16-22(20,4)5/h6-7,9-11,13-15H,8,12,16H2,1-5H3,(H,23,24)/b9-6+,13-7+,15-14+,17-11+,18-10+.
What are the key properties of (2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid?
(2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid has a molecular weight of 326.48 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenoic acid is sourced from PubChem (CID 10314319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).