(3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol

C22H34O — CID 19693551

IUPAC(3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(C)(C)O)C(C)(C)CCC1
InChIInChI=1S/C22H34O/c1-17(10-8-11-18(2)16-22(6,7)23)13-14-20-19(3)12-9-15-21(20,4)5/h8,10-11,13-14,16,23H,9,12,15H2,1-7H3/b11-8+,14-13+,17-10+,18-16+
InChIKeyUFGABHUPDRAFFV-NBIQJRODSA-N
MW314.51 g/mol
LogP6.29
Rot. Bonds5

About (3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol

(3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol (PubChem CID 19693551) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is (3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol.

Molecular Properties

Compound Name(3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol
PubChem CID19693551
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name(3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(C)(C)O)C(C)(C)CCC1
InChIInChI=1S/C22H34O/c1-17(10-8-11-18(2)16-22(6,7)23)13-14-20-19(3)12-9-15-21(20,4)5/h8,10-11,13-14,16,23H,9,12,15H2,1-7H3/b11-8+,14-13+,17-10+,18-16+
InChIKeyUFGABHUPDRAFFV-NBIQJRODSA-N
XLogP6.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol with MolForge

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Related Compounds

Retinol
CID 445354
beta-Ionol, (E)-
CID 5373729
13-cis-Retinol
CID 9904001
9-cis-Retinol
CID 9947823
11-cis-Retinol
CID 5280382
Fuscol
CID 10891538
1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 6436846
1'-Hydroxy-gamma-carotene
CID 14730337
1'-Hydroxytorulene
CID 23724599
Eunicol
CID 56951445
8'-apo-beta-Carotenol
CID 5280991
9-cis Retinol
CID 1071

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol?
The IUPAC name of (3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol (CID 19693551) is (3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol.
What is the SMILES notation for (3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol?
The canonical SMILES for (3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(C)(C)O)C(C)(C)CCC1.
What is the InChIKey of (3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol?
The InChIKey is UFGABHUPDRAFFV-NBIQJRODSA-N. The full InChI is InChI=1S/C22H34O/c1-17(10-8-11-18(2)16-22(6,7)23)13-14-20-19(3)12-9-15-21(20,4)5/h8,10-11,13-14,16,23H,9,12,15H2,1-7H3/b11-8+,14-13+,17-10+,18-16+.
What are the key properties of (3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol?
(3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol has a molecular weight of 314.51 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E)-2,4,8-trimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-ol is sourced from PubChem (CID 19693551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).