(2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol

C20H34O2 — CID 10236560

IUPAC(2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol
SMILESCC(C)=CCC/C(=C\CC/C(C)=C/CC/C(C)=C/CO)CO
InChIInChI=1S/C20H34O2/c1-17(2)8-5-12-20(16-22)13-7-11-18(3)9-6-10-19(4)14-15-21/h8-9,13-14,21-22H,5-7,10-12,15-16H2,1-4H3/b18-9+,19-14+,20-13+
InChIKeyDLCKTKWYXKQGTD-WOSIOVFNSA-N
MW306.49 g/mol
LogP5.10
Rot. Bonds11

About (2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol

(2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol (PubChem CID 10236560) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol.

Molecular Properties

Compound Name(2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol
PubChem CID10236560
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol
SMILESCC(C)=CCC/C(=C\CC/C(C)=C/CC/C(C)=C/CO)CO
InChIInChI=1S/C20H34O2/c1-17(2)8-5-12-20(16-22)13-7-11-18(3)9-6-10-19(4)14-15-21/h8-9,13-14,21-22H,5-7,10-12,15-16H2,1-4H3/b18-9+,19-14+,20-13+
InChIKeyDLCKTKWYXKQGTD-WOSIOVFNSA-N
XLogP5.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol with MolForge

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Related Compounds

(2Z,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol
CID 23466450
(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane
CID 23466441
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
(2E,4R,6E,10E)-4-deuterio-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 25239942
(6Z,10Z,14Z,18Z)-2,23-bis(hydroxymethyl)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene-1,24-diol
CID 25112523
4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol
CID 156748576
ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173407117
[(2E,6E)-7-(hydroxymethyl)-3,11-dimethyldodeca-2,6,10-trienyl] acetate
CID 21159763
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol?
The IUPAC name of (2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol (CID 10236560) is (2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol.
What is the SMILES notation for (2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol?
The canonical SMILES for (2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol is CC(C)=CCC/C(=C\CC/C(C)=C/CC/C(C)=C/CO)CO.
What is the InChIKey of (2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol?
The InChIKey is DLCKTKWYXKQGTD-WOSIOVFNSA-N. The full InChI is InChI=1S/C20H34O2/c1-17(2)8-5-12-20(16-22)13-7-11-18(3)9-6-10-19(4)14-15-21/h8-9,13-14,21-22H,5-7,10-12,15-16H2,1-4H3/b18-9+,19-14+,20-13+.
What are the key properties of (2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol?
(2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol has a molecular weight of 306.49 g/mol, XLogP of 5.10, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol is sourced from PubChem (CID 10236560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).