2,2-dimethylbut-3-ynylcyclobutane

C10H16 — CID 122240184

IUPAC2,2-dimethylbut-3-ynylcyclobutane
SMILESC#CC(C)(C)CC1CCC1
InChIInChI=1S/C10H16/c1-4-10(2,3)8-9-6-5-7-9/h1,9H,5-8H2,2-3H3
InChIKeyHTZYCVFVFBXZJH-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.84
Rot. Bonds2

About 2,2-dimethylbut-3-ynylcyclobutane

2,2-dimethylbut-3-ynylcyclobutane (PubChem CID 122240184) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2,2-dimethylbut-3-ynylcyclobutane.

Molecular Properties

Compound Name2,2-dimethylbut-3-ynylcyclobutane
PubChem CID122240184
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2,2-dimethylbut-3-ynylcyclobutane
SMILESC#CC(C)(C)CC1CCC1
InChIInChI=1S/C10H16/c1-4-10(2,3)8-9-6-5-7-9/h1,9H,5-8H2,2-3H3
InChIKeyHTZYCVFVFBXZJH-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.84
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

1-Ethyl-1-ethynylcyclobutane
CID 157356129
(2-Methylbut-3-yn-1-yl)cyclobutane
CID 167719771
3-Ethyl-3-methylhept-1-yne
CID 12036480
3-Ethyl-3,5-dimethylhex-1-yne
CID 13684212
(4S)-4-tert-butyloct-2-yne
CID 13299595
Cyclobutane, 2-ethynyl-1,1,3,3-tetramethyl-
CID 144183
1,1-Dimethyl-3-propylcyclobutane
CID 19073360
3-Methyl-1,1-dipropylcyclobutane
CID 20742502
4,4-Dipropylhepta-1,6-diyne
CID 20765094
7,7,8-Trimethylnon-1-yne
CID 21028416
7,7-Dimethyloct-1-yne
CID 21028417
1-Ethyl-1-(2-methylpropyl)cyclobutane
CID 21133240

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbut-3-ynylcyclobutane?
The IUPAC name of 2,2-dimethylbut-3-ynylcyclobutane (CID 122240184) is 2,2-dimethylbut-3-ynylcyclobutane.
What is the SMILES notation for 2,2-dimethylbut-3-ynylcyclobutane?
The canonical SMILES for 2,2-dimethylbut-3-ynylcyclobutane is C#CC(C)(C)CC1CCC1.
What is the InChIKey of 2,2-dimethylbut-3-ynylcyclobutane?
The InChIKey is HTZYCVFVFBXZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-10(2,3)8-9-6-5-7-9/h1,9H,5-8H2,2-3H3.
What are the key properties of 2,2-dimethylbut-3-ynylcyclobutane?
2,2-dimethylbut-3-ynylcyclobutane has a molecular weight of 136.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbut-3-ynylcyclobutane is sourced from PubChem (CID 122240184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).