(2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol

C17H30OS2 — CID 134906349

IUPAC(2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol
SMILESC/C(=C/CC/C(=C/CC/C(C)=C/CO)CCS)CCS
InChIInChI=1S/C17H30OS2/c1-15(9-12-18)5-3-7-17(11-14-20)8-4-6-16(2)10-13-19/h6-7,9,18-20H,3-5,8,10-14H2,1-2H3/b15-9+,16-6-,17-7-
InChIKeyANNKVIQMFZVGQA-HGXOYRCUSA-N
MW314.56 g/mol
LogP5.00
Rot. Bonds11

About (2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol

(2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol (PubChem CID 134906349) has the molecular formula C17H30OS2 and a molecular weight of 314.56 g/mol. Its IUPAC name is (2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol.

Molecular Properties

Compound Name(2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol
PubChem CID134906349
Molecular FormulaC17H30OS2
Molecular Weight314.56 g/mol
Exact Mass314.17
IUPAC Name(2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol
SMILESC/C(=C/CC/C(=C/CC/C(C)=C/CO)CCS)CCS
InChIInChI=1S/C17H30OS2/c1-15(9-12-18)5-3-7-17(11-14-20)8-4-6-16(2)10-13-19/h6-7,9,18-20H,3-5,8,10-14H2,1-2H3/b15-9+,16-6-,17-7-
InChIKeyANNKVIQMFZVGQA-HGXOYRCUSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol 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 (2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol?
The IUPAC name of (2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol (CID 134906349) is (2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol.
What is the SMILES notation for (2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol?
The canonical SMILES for (2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol is C/C(=C/CC/C(=C/CC/C(C)=C/CO)CCS)CCS.
What is the InChIKey of (2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol?
The InChIKey is ANNKVIQMFZVGQA-HGXOYRCUSA-N. The full InChI is InChI=1S/C17H30OS2/c1-15(9-12-18)5-3-7-17(11-14-20)8-4-6-16(2)10-13-19/h6-7,9,18-20H,3-5,8,10-14H2,1-2H3/b15-9+,16-6-,17-7-.
What are the key properties of (2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol?
(2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol has a molecular weight of 314.56 g/mol, XLogP of 5.00, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol is sourced from PubChem (CID 134906349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).