5,5,8,8-tetramethyldodec-6-yne

C16H30 — CID 173245990

IUPAC5,5,8,8-tetramethyldodec-6-yne
SMILESCCCCC(C)(C)C#CC(C)(C)CCCC
InChIInChI=1S/C16H30/c1-7-9-11-15(3,4)13-14-16(5,6)12-10-8-2/h7-12H2,1-6H3
InChIKeyPWHMAHOVNWABEV-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds6

About 5,5,8,8-tetramethyldodec-6-yne

5,5,8,8-tetramethyldodec-6-yne (PubChem CID 173245990) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 5,5,8,8-tetramethyldodec-6-yne.

Molecular Properties

Compound Name5,5,8,8-tetramethyldodec-6-yne
PubChem CID173245990
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name5,5,8,8-tetramethyldodec-6-yne
SMILESCCCCC(C)(C)C#CC(C)(C)CCCC
InChIInChI=1S/C16H30/c1-7-9-11-15(3,4)13-14-16(5,6)12-10-8-2/h7-12H2,1-6H3
InChIKeyPWHMAHOVNWABEV-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylhexane
CID 169424592
5-bromo-5-butylnonane
CID 23146783
azane;2,2-dimethylhexane
CID 161105081
(5,6-dibutyl-6-methyldecan-5-yl)azanium hydroxide
CID 87346379
CID 59340592
CID 59340592
5,8-bis(tert-butylperoxy)-5,8-dimethyldodec-6-yne
CID 18938676
CID 86622856
CID 86622856
(5S,8R)-5,8-diethyldodec-6-yne-5,8-diol
CID 92529620
7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
2-butyl-2-methylhexanoic acid
CID 15930803
(3S)-4,4-dimethyloct-1-yn-3-ol
CID 54523501
2-methylhexan-2-ol;yttrium
CID 58823506

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyldodec-6-yne?
The IUPAC name of 5,5,8,8-tetramethyldodec-6-yne (CID 173245990) is 5,5,8,8-tetramethyldodec-6-yne.
What is the SMILES notation for 5,5,8,8-tetramethyldodec-6-yne?
The canonical SMILES for 5,5,8,8-tetramethyldodec-6-yne is CCCCC(C)(C)C#CC(C)(C)CCCC.
What is the InChIKey of 5,5,8,8-tetramethyldodec-6-yne?
The InChIKey is PWHMAHOVNWABEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-7-9-11-15(3,4)13-14-16(5,6)12-10-8-2/h7-12H2,1-6H3.
What are the key properties of 5,5,8,8-tetramethyldodec-6-yne?
5,5,8,8-tetramethyldodec-6-yne has a molecular weight of 222.42 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8-tetramethyldodec-6-yne is sourced from PubChem (CID 173245990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).