2-methylbut-3-ynylcyclobutane

C9H14 — CID 167719771

IUPAC2-methylbut-3-ynylcyclobutane
SMILESC#CC(C)CC1CCC1
InChIInChI=1S/C9H14/c1-3-8(2)7-9-5-4-6-9/h1,8-9H,4-7H2,2H3
InChIKeyGHALBDKPXWKHJS-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.45
Rot. Bonds2

About 2-methylbut-3-ynylcyclobutane

2-methylbut-3-ynylcyclobutane (PubChem CID 167719771) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-methylbut-3-ynylcyclobutane.

Molecular Properties

Compound Name2-methylbut-3-ynylcyclobutane
PubChem CID167719771
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2-methylbut-3-ynylcyclobutane
SMILESC#CC(C)CC1CCC1
InChIInChI=1S/C9H14/c1-3-8(2)7-9-5-4-6-9/h1,8-9H,4-7H2,2H3
InChIKeyGHALBDKPXWKHJS-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.45
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

(2S)-1-cyclobutylpropan-2-amine
CID 66713874
2-cyclopropylpropylcyclobutane
CID 54087952
but-3-yn-2-ylcyclobutane
CID 123211924
(2R)-1-cyclobutylpropan-2-amine
CID 124506916
1-cyclopentyl-N-prop-2-ynylpropan-2-amine
CID 115755854
2-(cyclobutylmethyl)-3-methylbutanenitrile
CID 116931782
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
N-(1-cyclobutylpropan-2-yl)hex-5-yn-3-amine
CID 115723579
1-cyclobutylhex-5-yn-2-ol
CID 103170011
1-cyclohexylbut-3-yn-2-ylhydrazine
CID 105315529

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-3-ynylcyclobutane?
The IUPAC name of 2-methylbut-3-ynylcyclobutane (CID 167719771) is 2-methylbut-3-ynylcyclobutane.
What is the SMILES notation for 2-methylbut-3-ynylcyclobutane?
The canonical SMILES for 2-methylbut-3-ynylcyclobutane is C#CC(C)CC1CCC1.
What is the InChIKey of 2-methylbut-3-ynylcyclobutane?
The InChIKey is GHALBDKPXWKHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-8(2)7-9-5-4-6-9/h1,8-9H,4-7H2,2H3.
What are the key properties of 2-methylbut-3-ynylcyclobutane?
2-methylbut-3-ynylcyclobutane has a molecular weight of 122.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-3-ynylcyclobutane is sourced from PubChem (CID 167719771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).