5,6-dimethyloct-5-en-1-yne

C10H16 — CID 144565165

IUPAC5,6-dimethyloct-5-en-1-yne
SMILESC#CCCC(C)=C(C)CC
InChIInChI=1S/C10H16/c1-5-7-8-10(4)9(3)6-2/h1H,6-8H2,2-4H3
InChIKeyYLZNHEUXAYIXNQ-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.15
Rot. Bonds3

About 5,6-dimethyloct-5-en-1-yne

5,6-dimethyloct-5-en-1-yne (PubChem CID 144565165) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 5,6-dimethyloct-5-en-1-yne.

Molecular Properties

Compound Name5,6-dimethyloct-5-en-1-yne
PubChem CID144565165
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name5,6-dimethyloct-5-en-1-yne
SMILESC#CCCC(C)=C(C)CC
InChIInChI=1S/C10H16/c1-5-7-8-10(4)9(3)6-2/h1H,6-8H2,2-4H3
InChIKeyYLZNHEUXAYIXNQ-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.15
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 5,6-dimethyloct-5-en-1-yne?
The IUPAC name of 5,6-dimethyloct-5-en-1-yne (CID 144565165) is 5,6-dimethyloct-5-en-1-yne.
What is the SMILES notation for 5,6-dimethyloct-5-en-1-yne?
The canonical SMILES for 5,6-dimethyloct-5-en-1-yne is C#CCCC(C)=C(C)CC.
What is the InChIKey of 5,6-dimethyloct-5-en-1-yne?
The InChIKey is YLZNHEUXAYIXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-5-7-8-10(4)9(3)6-2/h1H,6-8H2,2-4H3.
What are the key properties of 5,6-dimethyloct-5-en-1-yne?
5,6-dimethyloct-5-en-1-yne has a molecular weight of 136.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyloct-5-en-1-yne is sourced from PubChem (CID 144565165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).