(E)-5,6-dimethylundec-5-en-1,9-diyne

C13H18 — CID 15627593

IUPAC(E)-5,6-dimethylundec-5-en-1,9-diyne
SMILESC#CCC/C(C)=C(\C)CCC#CC
InChIInChI=1S/C13H18/c1-5-7-9-11-13(4)12(3)10-8-6-2/h2H,8-11H2,1,3-4H3/b13-12+
InChIKeyXVEQMZZDHVLEDM-OUKQBFOZSA-N
MW174.29 g/mol
LogP3.54
Rot. Bonds4

About (E)-5,6-dimethylundec-5-en-1,9-diyne

(E)-5,6-dimethylundec-5-en-1,9-diyne (PubChem CID 15627593) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is (E)-5,6-dimethylundec-5-en-1,9-diyne.

Molecular Properties

Compound Name(E)-5,6-dimethylundec-5-en-1,9-diyne
PubChem CID15627593
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name(E)-5,6-dimethylundec-5-en-1,9-diyne
SMILESC#CCC/C(C)=C(\C)CCC#CC
InChIInChI=1S/C13H18/c1-5-7-9-11-13(4)12(3)10-8-6-2/h2H,8-11H2,1,3-4H3/b13-12+
InChIKeyXVEQMZZDHVLEDM-OUKQBFOZSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.54
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

(5E)-6,10-Dimethyl-5,9-undecadien-1-yne
CID 5365876
7-Methyl-3-methyleneoct-6-en-1-yne
CID 11018920
(5Z)-6,10-dimethylundeca-5,9-dien-1-yne
CID 11286780
5,6-Dimethylhept-5-en-1-yne
CID 85563048
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne
CID 10955809
7-Methyloct-6-en-1-yne
CID 13778276
(6E)-2,6-dimethyldodeca-2,6-dien-10-yne
CID 138970676
(3E)-4,8-dimethylnona-3,7-dien-1-yne
CID 11008074
(Z)-6-ethyl-5-iodododec-5-en-7-yne
CID 10471117
(E)-4-ethynyloct-4-ene
CID 10606792
(5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne
CID 11242015
1-Ethynyl-2-prop-1-ynylcyclopentene
CID 11297985

Frequently Asked Questions

What is the IUPAC name of (E)-5,6-dimethylundec-5-en-1,9-diyne?
The IUPAC name of (E)-5,6-dimethylundec-5-en-1,9-diyne (CID 15627593) is (E)-5,6-dimethylundec-5-en-1,9-diyne.
What is the SMILES notation for (E)-5,6-dimethylundec-5-en-1,9-diyne?
The canonical SMILES for (E)-5,6-dimethylundec-5-en-1,9-diyne is C#CCC/C(C)=C(\C)CCC#CC.
What is the InChIKey of (E)-5,6-dimethylundec-5-en-1,9-diyne?
The InChIKey is XVEQMZZDHVLEDM-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H18/c1-5-7-9-11-13(4)12(3)10-8-6-2/h2H,8-11H2,1,3-4H3/b13-12+.
What are the key properties of (E)-5,6-dimethylundec-5-en-1,9-diyne?
(E)-5,6-dimethylundec-5-en-1,9-diyne has a molecular weight of 174.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,6-dimethylundec-5-en-1,9-diyne is sourced from PubChem (CID 15627593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).