11-chloroundeca-2,4-diene

C11H19Cl — CID 168861619

IUPAC11-chloroundeca-2,4-diene
SMILESCC=CC=CCCCCCCCl
InChIInChI=1S/C11H19Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-5H,6-11H2,1H3
InChIKeyUMLXAJBANUSCGR-UHFFFAOYSA-N
MW186.73 g/mol
LogP4.31
Rot. Bonds7

About 11-chloroundeca-2,4-diene

11-chloroundeca-2,4-diene (PubChem CID 168861619) has the molecular formula C11H19Cl and a molecular weight of 186.73 g/mol. Its IUPAC name is 11-chloroundeca-2,4-diene.

Molecular Properties

Compound Name11-chloroundeca-2,4-diene
PubChem CID168861619
Molecular FormulaC11H19Cl
Molecular Weight186.73 g/mol
Exact Mass186.12
IUPAC Name11-chloroundeca-2,4-diene
SMILESCC=CC=CCCCCCCCl
InChIInChI=1S/C11H19Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-5H,6-11H2,1H3
InChIKeyUMLXAJBANUSCGR-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.73
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-8-chloroocta-2,4-diene
CID 55302573
10-chlorodec-2-ene
CID 54299561
12-chlorododec-2-ene
CID 56977389
(5Z,7Z)-16-chlorohexadeca-5,7-diene
CID 146189468
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522
(5E,7E)-17-chloroheptadeca-5,7-diene
CID 146189406
13-chlorotrideca-3,5-diene
CID 168861620
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533
11-bromoundeca-2,4-diene
CID 168861580
11-iodoundeca-2,4-diene
CID 168861625
1,17-dichloroheptadec-8-ene
CID 168864753
(10E,12E)-hexadeca-10,12,14-trien-1-ol
CID 134532994

Frequently Asked Questions

What is the IUPAC name of 11-chloroundeca-2,4-diene?
The IUPAC name of 11-chloroundeca-2,4-diene (CID 168861619) is 11-chloroundeca-2,4-diene.
What is the SMILES notation for 11-chloroundeca-2,4-diene?
The canonical SMILES for 11-chloroundeca-2,4-diene is CC=CC=CCCCCCCCl.
What is the InChIKey of 11-chloroundeca-2,4-diene?
The InChIKey is UMLXAJBANUSCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-5H,6-11H2,1H3.
What are the key properties of 11-chloroundeca-2,4-diene?
11-chloroundeca-2,4-diene has a molecular weight of 186.73 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloroundeca-2,4-diene is sourced from PubChem (CID 168861619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).