(3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol

C13H11ClO — CID 131751511

IUPAC(3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol
SMILESC/C=C\C#CC#CC#C/C=C/C(O)CCl
InChIInChI=1S/C13H11ClO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13,15H,12H2,1H3/b3-2-,11-10+
InChIKeyBWFFGWCCMCLGBQ-JSQGHLFOSA-N
MW218.68 g/mol
LogP1.73
Rot. Bonds2

About (3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol

(3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol (PubChem CID 131751511) has the molecular formula C13H11ClO and a molecular weight of 218.68 g/mol. Its IUPAC name is (3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol.

Molecular Properties

Compound Name(3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol
PubChem CID131751511
Molecular FormulaC13H11ClO
Molecular Weight218.68 g/mol
Exact Mass218.05
IUPAC Name(3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol
SMILESC/C=C\C#CC#CC#C/C=C/C(O)CCl
InChIInChI=1S/C13H11ClO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13,15H,12H2,1H3/b3-2-,11-10+
InChIKeyBWFFGWCCMCLGBQ-JSQGHLFOSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol?
The IUPAC name of (3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol (CID 131751511) is (3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol.
What is the SMILES notation for (3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol?
The canonical SMILES for (3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol is C/C=C\C#CC#CC#C/C=C/C(O)CCl.
What is the InChIKey of (3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol?
The InChIKey is BWFFGWCCMCLGBQ-JSQGHLFOSA-N. The full InChI is InChI=1S/C13H11ClO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13,15H,12H2,1H3/b3-2-,11-10+.
What are the key properties of (3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol?
(3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol has a molecular weight of 218.68 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol is sourced from PubChem (CID 131751511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).