6,10-dimethylundec-9-en-1-yne

C13H22 — CID 175139097

IUPAC6,10-dimethylundec-9-en-1-yne
SMILESC#CCCCC(C)CCC=C(C)C
InChIInChI=1S/C13H22/c1-5-6-7-10-13(4)11-8-9-12(2)3/h1,9,13H,6-8,10-11H2,2-4H3
InChIKeyNFLPSWQCAJRSGX-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.17
Rot. Bonds6

About 6,10-dimethylundec-9-en-1-yne

6,10-dimethylundec-9-en-1-yne (PubChem CID 175139097) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 6,10-dimethylundec-9-en-1-yne.

Molecular Properties

Compound Name6,10-dimethylundec-9-en-1-yne
PubChem CID175139097
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name6,10-dimethylundec-9-en-1-yne
SMILESC#CCCCC(C)CCC=C(C)C
InChIInChI=1S/C13H22/c1-5-6-7-10-13(4)11-8-9-12(2)3/h1,9,13H,6-8,10-11H2,2-4H3
InChIKeyNFLPSWQCAJRSGX-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 140820993
6,10,14-trimethylpentadec-1-yne
CID 72780458
2,6-dimethyl-10-(trideuteriomethyl)dodec-2-ene
CID 11252860
5,9-dimethyldeca-1,8-diene
CID 12578605
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
CID 173125400
CID 173125400
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol
CID 162691534
6-methyldodec-1-yne
CID 123369200
2,7-dimethyldec-2-ene
CID 123304905

Frequently Asked Questions

What is the IUPAC name of 6,10-dimethylundec-9-en-1-yne?
The IUPAC name of 6,10-dimethylundec-9-en-1-yne (CID 175139097) is 6,10-dimethylundec-9-en-1-yne.
What is the SMILES notation for 6,10-dimethylundec-9-en-1-yne?
The canonical SMILES for 6,10-dimethylundec-9-en-1-yne is C#CCCCC(C)CCC=C(C)C.
What is the InChIKey of 6,10-dimethylundec-9-en-1-yne?
The InChIKey is NFLPSWQCAJRSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-5-6-7-10-13(4)11-8-9-12(2)3/h1,9,13H,6-8,10-11H2,2-4H3.
What are the key properties of 6,10-dimethylundec-9-en-1-yne?
6,10-dimethylundec-9-en-1-yne has a molecular weight of 178.32 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethylundec-9-en-1-yne is sourced from PubChem (CID 175139097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).