3,3-dimethylbut-1-yne;pent-1-yne

C11H18 — CID 159623707

IUPAC3,3-dimethylbut-1-yne;pent-1-yne
SMILESC#CC(C)(C)C.C#CCCC
InChIInChI=1S/C6H10.C5H8/c1-5-6(2,3)4;1-3-5-4-2/h1H,2-4H3;1H,4-5H2,2H3
InChIKeyMOFJKCNTMZNBKJ-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.09
Rot. Bonds1

About 3,3-dimethylbut-1-yne;pent-1-yne

3,3-dimethylbut-1-yne;pent-1-yne (PubChem CID 159623707) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 3,3-dimethylbut-1-yne;pent-1-yne.

Molecular Properties

Compound Name3,3-dimethylbut-1-yne;pent-1-yne
PubChem CID159623707
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name3,3-dimethylbut-1-yne;pent-1-yne
SMILESC#CC(C)(C)C.C#CCCC
InChIInChI=1S/C6H10.C5H8/c1-5-6(2,3)4;1-3-5-4-2/h1H,2-4H3;1H,4-5H2,2H3
InChIKeyMOFJKCNTMZNBKJ-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.09
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

3,3-dimethylbut-1-yne chloride
CID 131726738
dodec-1-yne-5,8-diol
CID 87593549
3,3-dimethylocta-1,7-diyne
CID 122240234
2-ethyl-2-methylhex-5-ynal
CID 131070429
3-methyloct-7-yne-3,4-diol
CID 103448564
N,3,3-trimethylnon-8-yn-4-amine
CID 105033729
oct-1-yne
CID 19597608
cobalt;3,3-dimethylbut-1-yne;methanone
CID 175068108
3,4-dimethylhept-1-yne-3,4-diol
CID 102249500
oct-7-yn-4-amine
CID 63656082
2,2-dimethyl-N-propyloct-7-yn-4-amine
CID 63890246
CID 172706336
CID 172706336

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbut-1-yne;pent-1-yne?
The IUPAC name of 3,3-dimethylbut-1-yne;pent-1-yne (CID 159623707) is 3,3-dimethylbut-1-yne;pent-1-yne.
What is the SMILES notation for 3,3-dimethylbut-1-yne;pent-1-yne?
The canonical SMILES for 3,3-dimethylbut-1-yne;pent-1-yne is C#CC(C)(C)C.C#CCCC.
What is the InChIKey of 3,3-dimethylbut-1-yne;pent-1-yne?
The InChIKey is MOFJKCNTMZNBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C5H8/c1-5-6(2,3)4;1-3-5-4-2/h1H,2-4H3;1H,4-5H2,2H3.
What are the key properties of 3,3-dimethylbut-1-yne;pent-1-yne?
3,3-dimethylbut-1-yne;pent-1-yne has a molecular weight of 150.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbut-1-yne;pent-1-yne is sourced from PubChem (CID 159623707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).