(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol

C20H30O2 — CID 6510267

IUPAC(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol
SMILESCC1=CCCC(C)(C)/C1=C/C=C(C)/C=C/C=C(\C)C(O)CO
InChIInChI=1S/C20H30O2/c1-15(8-6-9-17(3)19(22)14-21)11-12-18-16(2)10-7-13-20(18,4)5/h6,8-12,19,21-22H,7,13-14H2,1-5H3/b8-6+,15-11+,17-9+,18-12+
InChIKeyPCRZONNRANOQPA-XRKJSDEASA-N
MW302.46 g/mol
LogP4.48
Rot. Bonds5

About (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol

(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol (PubChem CID 6510267) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol.

Molecular Properties

Compound Name(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol
PubChem CID6510267
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol
SMILESCC1=CCCC(C)(C)/C1=C/C=C(C)/C=C/C=C(\C)C(O)CO
InChIInChI=1S/C20H30O2/c1-15(8-6-9-17(3)19(22)14-21)11-12-18-16(2)10-7-13-20(18,4)5/h6,8-12,19,21-22H,7,13-14H2,1-5H3/b8-6+,15-11+,17-9+,18-12+
InChIKeyPCRZONNRANOQPA-XRKJSDEASA-N
XLogP4.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Caloxanthin
CID 16061255
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diol
CID 5369735
(3S,3'R,4xi)-beta,beta-Carotene-3,3',4-triol
CID 14409074
All-trans-4-hydroxyretinol
CID 6080476
(3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol
CID 5281237
4-(3-Hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-enol
CID 5352752
3-Hydroxy-beta-ionol
CID 14565843
Myxol
CID 16061290
Deoxymyxol
CID 16061292
Plectaniaxanthin
CID 16061293
5,7,11-Tridecatriene-3,4-diol, 3,8,12-trimethyl-
CID 6437622
1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 109264

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol?
The IUPAC name of (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol (CID 6510267) is (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol.
What is the SMILES notation for (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol?
The canonical SMILES for (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol is CC1=CCCC(C)(C)/C1=C/C=C(C)/C=C/C=C(\C)C(O)CO.
What is the InChIKey of (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol?
The InChIKey is PCRZONNRANOQPA-XRKJSDEASA-N. The full InChI is InChI=1S/C20H30O2/c1-15(8-6-9-17(3)19(22)14-21)11-12-18-16(2)10-7-13-20(18,4)5/h6,8-12,19,21-22H,7,13-14H2,1-5H3/b8-6+,15-11+,17-9+,18-12+.
What are the key properties of (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol?
(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol has a molecular weight of 302.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol is sourced from PubChem (CID 6510267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).