1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane

C11H18 — CID 123938589

IUPAC1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane
SMILESCCC#CC1(C)CC1C(C)C
InChIInChI=1S/C11H18/c1-5-6-7-11(4)8-10(11)9(2)3/h9-10H,5,8H2,1-4H3
InChIKeyXAZWZVUAZFSTGO-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.08
Rot. Bonds1

About 1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane

1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane (PubChem CID 123938589) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane
PubChem CID123938589
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane
SMILESCCC#CC1(C)CC1C(C)C
InChIInChI=1S/C11H18/c1-5-6-7-11(4)8-10(11)9(2)3/h9-10H,5,8H2,1-4H3
InChIKeyXAZWZVUAZFSTGO-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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-methyl-2-propan-2-ylcyclopropane
CID 91445155
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
1-ethyl-1,2-di(propan-2-yl)cyclopropane
CID 140630902
1-ethyl-4-methyl-2-propan-2-ylbicyclo[2.1.0]pentane
CID 123763181
(2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
CID 162292361
2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
CID 91239546
1-tert-butyl-1-methyl-2,4-di(propan-2-yl)cyclobutane
CID 91279351
4-but-1-ynyl-4-propan-2-yloxane;ethane
CID 178004481
1-cyclopropyl-1-methyl-2-propan-2-ylcyclopropane
CID 123698843
1-methyl-2-propan-2-yl-1-propylcyclobutane
CID 123382647
1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane
CID 121274010
1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 83826508

Frequently Asked Questions

What is the IUPAC name of 1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane?
The IUPAC name of 1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane (CID 123938589) is 1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane.
What is the SMILES notation for 1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane?
The canonical SMILES for 1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane is CCC#CC1(C)CC1C(C)C.
What is the InChIKey of 1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane?
The InChIKey is XAZWZVUAZFSTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-5-6-7-11(4)8-10(11)9(2)3/h9-10H,5,8H2,1-4H3.
What are the key properties of 1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane?
1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane has a molecular weight of 150.26 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane is sourced from PubChem (CID 123938589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).