(6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol

C20H34O3 — CID 11416024

IUPAC(6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol
SMILESC=C(CO)C(O)CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H34O3/c1-16(8-6-10-18(3)13-14-21)7-5-9-17(2)11-12-20(23)19(4)15-22/h8-9,13,20-23H,4-7,10-12,14-15H2,1-3H3/b16-8+,17-9+,18-13+
InChIKeyVFIAQLHHYUJOJN-RCZDYDGJSA-N
MW322.49 g/mol
LogP4.07
Rot. Bonds12

About (6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol

(6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol (PubChem CID 11416024) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol.

Molecular Properties

Compound Name(6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol
PubChem CID11416024
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol
SMILESC=C(CO)C(O)CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H34O3/c1-16(8-6-10-18(3)13-14-21)7-5-9-17(2)11-12-20(23)19(4)15-22/h8-9,13,20-23H,4-7,10-12,14-15H2,1-3H3/b16-8+,17-9+,18-13+
InChIKeyVFIAQLHHYUJOJN-RCZDYDGJSA-N
XLogP4.07
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
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 (6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-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 (6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol?
The IUPAC name of (6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol (CID 11416024) is (6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol.
What is the SMILES notation for (6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol?
The canonical SMILES for (6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol is C=C(CO)C(O)CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol?
The InChIKey is VFIAQLHHYUJOJN-RCZDYDGJSA-N. The full InChI is InChI=1S/C20H34O3/c1-16(8-6-10-18(3)13-14-21)7-5-9-17(2)11-12-20(23)19(4)15-22/h8-9,13,20-23H,4-7,10-12,14-15H2,1-3H3/b16-8+,17-9+,18-13+.
What are the key properties of (6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol?
(6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol has a molecular weight of 322.49 g/mol, XLogP of 4.07, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol is sourced from PubChem (CID 11416024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).