(2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol

C20H34O3 — CID 163018725

IUPAC(2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol
SMILESC/C(=C/CC/C(C)=C/[C@H](O)C/C(C)=C/CC/C(C)=C\CO)CO
InChIInChI=1S/C20H34O3/c1-16(11-12-21)7-5-8-17(2)13-20(23)14-18(3)9-6-10-19(4)15-22/h8,10-11,14,20-23H,5-7,9,12-13,15H2,1-4H3/b16-11-,17-8+,18-14+,19-10-/t20-/m1/s1
InChIKeyNGEXWFPIGXXDJN-UKQUAGIFSA-N
MW322.49 g/mol
LogP4.07
Rot. Bonds11

About (2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol

(2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol (PubChem CID 163018725) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol.

Molecular Properties

Compound Name(2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol
PubChem CID163018725
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol
SMILESC/C(=C/CC/C(C)=C/[C@H](O)C/C(C)=C/CC/C(C)=C\CO)CO
InChIInChI=1S/C20H34O3/c1-16(11-12-21)7-5-8-17(2)13-20(23)14-18(3)9-6-10-19(4)15-22/h8,10-11,14,20-23H,5-7,9,12-13,15H2,1-4H3/b16-11-,17-8+,18-14+,19-10-/t20-/m1/s1
InChIKeyNGEXWFPIGXXDJN-UKQUAGIFSA-N
XLogP4.07
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol?
The IUPAC name of (2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol (CID 163018725) is (2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol.
What is the SMILES notation for (2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol?
The canonical SMILES for (2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol is C/C(=C/CC/C(C)=C/[C@H](O)C/C(C)=C/CC/C(C)=C\CO)CO.
What is the InChIKey of (2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol?
The InChIKey is NGEXWFPIGXXDJN-UKQUAGIFSA-N. The full InChI is InChI=1S/C20H34O3/c1-16(11-12-21)7-5-8-17(2)13-20(23)14-18(3)9-6-10-19(4)15-22/h8,10-11,14,20-23H,5-7,9,12-13,15H2,1-4H3/b16-11-,17-8+,18-14+,19-10-/t20-/m1/s1.
What are the key properties of (2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol?
(2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol has a molecular weight of 322.49 g/mol, XLogP of 4.07, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol is sourced from PubChem (CID 163018725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).