11-methyldodeca-1,11-dien-3,5,7-triyne

C13H12 — CID 123755544

IUPAC11-methyldodeca-1,11-dien-3,5,7-triyne
SMILESC=CC#CC#CC#CCCC(=C)C
InChIInChI=1S/C13H12/c1-4-5-6-7-8-9-10-11-12-13(2)3/h4H,1-2,11-12H2,3H3
InChIKeyITBCOLILTPLGSC-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.54
Rot. Bonds2

About 11-methyldodeca-1,11-dien-3,5,7-triyne

11-methyldodeca-1,11-dien-3,5,7-triyne (PubChem CID 123755544) has the molecular formula C13H12 and a molecular weight of 168.24 g/mol. Its IUPAC name is 11-methyldodeca-1,11-dien-3,5,7-triyne.

Molecular Properties

Compound Name11-methyldodeca-1,11-dien-3,5,7-triyne
PubChem CID123755544
Molecular FormulaC13H12
Molecular Weight168.24 g/mol
Exact Mass168.09
IUPAC Name11-methyldodeca-1,11-dien-3,5,7-triyne
SMILESC=CC#CC#CC#CCCC(=C)C
InChIInChI=1S/C13H12/c1-4-5-6-7-8-9-10-11-12-13(2)3/h4H,1-2,11-12H2,3H3
InChIKeyITBCOLILTPLGSC-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Nonen-4-yne
CID 141638
Undec-1-en-5,7,9-triyne
CID 14104320
7-Methylene-undec-5-yne
CID 10866683
6-Methylidenenon-4-yne
CID 15584278
(5Z)-5-(iodomethylidene)oct-1-en-6-yne
CID 15778096
2-Methylhept-1-en-6-yne
CID 10396805
Undec-1-en-6-yne
CID 11126446
Non-1-en-7-yne
CID 12418811
Oct-1-en-6-yne
CID 13759020
4-Vinylhept-1-en-5-in
CID 53910746
(3S)-3-methyloct-1-en-6-yne
CID 58067898
2-Methyl-3-methylidenehept-1-en-5-yne
CID 569164

Frequently Asked Questions

What is the IUPAC name of 11-methyldodeca-1,11-dien-3,5,7-triyne?
The IUPAC name of 11-methyldodeca-1,11-dien-3,5,7-triyne (CID 123755544) is 11-methyldodeca-1,11-dien-3,5,7-triyne.
What is the SMILES notation for 11-methyldodeca-1,11-dien-3,5,7-triyne?
The canonical SMILES for 11-methyldodeca-1,11-dien-3,5,7-triyne is C=CC#CC#CC#CCCC(=C)C.
What is the InChIKey of 11-methyldodeca-1,11-dien-3,5,7-triyne?
The InChIKey is ITBCOLILTPLGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12/c1-4-5-6-7-8-9-10-11-12-13(2)3/h4H,1-2,11-12H2,3H3.
What are the key properties of 11-methyldodeca-1,11-dien-3,5,7-triyne?
11-methyldodeca-1,11-dien-3,5,7-triyne has a molecular weight of 168.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyldodeca-1,11-dien-3,5,7-triyne is sourced from PubChem (CID 123755544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).