1-ethynyl-2-(1-methylcyclopropyl)cyclobutane

C10H14 — CID 123495241

IUPAC1-ethynyl-2-(1-methylcyclopropyl)cyclobutane
SMILESC#CC1CCC1C1(C)CC1
InChIInChI=1S/C10H14/c1-3-8-4-5-9(8)10(2)6-7-10/h1,8-9H,4-7H2,2H3
InChIKeySSSNZKYCLRPASG-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.45
Rot. Bonds1

About 1-ethynyl-2-(1-methylcyclopropyl)cyclobutane

1-ethynyl-2-(1-methylcyclopropyl)cyclobutane (PubChem CID 123495241) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-ethynyl-2-(1-methylcyclopropyl)cyclobutane.

Molecular Properties

Compound Name1-ethynyl-2-(1-methylcyclopropyl)cyclobutane
PubChem CID123495241
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-ethynyl-2-(1-methylcyclopropyl)cyclobutane
SMILESC#CC1CCC1C1(C)CC1
InChIInChI=1S/C10H14/c1-3-8-4-5-9(8)10(2)6-7-10/h1,8-9H,4-7H2,2H3
InChIKeySSSNZKYCLRPASG-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
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

9-Ethynyldispiro[3.0.3^{5}.1^{4}]nonane
CID 170912934
1-[1-(1-Fluorobut-3-ynyl)cyclopropyl]-3-methylcyclobutane
CID 155186670
9-Ethynyl-9-methylbicyclo[6.1.0]non-4-yne
CID 134613060
1,1'-(3,4-Dimethylhexa-1,5-diyne-3,4-diyl)dicyclopropane
CID 71396029
(4-Ethynyl-2,6-dimethyloctan-4-yl)cyclobutane
CID 56983163
(5-Ethynyl-2,7-dimethylnonan-5-yl)cyclobutane
CID 57097871
2,6-Dimethylspiro[2.3]hexane
CID 90957864
5-Methyl-5-(3-methylheptan-2-yl)-2-oct-1-ynylspiro[2.3]hexane
CID 91308036
1-(8-Ethyl-9-ethynyl-4,8-dimethylpentadecan-2-yl)-2-methylcyclopropane
CID 91433070
1-(3,3-Dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane
CID 91446725
2-Ethynyl-1-methyl-1-propylcyclopropane
CID 91554702
1-Butan-2-yl-2-ethynylbicyclo[1.1.0]butane
CID 123169820

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2-(1-methylcyclopropyl)cyclobutane?
The IUPAC name of 1-ethynyl-2-(1-methylcyclopropyl)cyclobutane (CID 123495241) is 1-ethynyl-2-(1-methylcyclopropyl)cyclobutane.
What is the SMILES notation for 1-ethynyl-2-(1-methylcyclopropyl)cyclobutane?
The canonical SMILES for 1-ethynyl-2-(1-methylcyclopropyl)cyclobutane is C#CC1CCC1C1(C)CC1.
What is the InChIKey of 1-ethynyl-2-(1-methylcyclopropyl)cyclobutane?
The InChIKey is SSSNZKYCLRPASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-3-8-4-5-9(8)10(2)6-7-10/h1,8-9H,4-7H2,2H3.
What are the key properties of 1-ethynyl-2-(1-methylcyclopropyl)cyclobutane?
1-ethynyl-2-(1-methylcyclopropyl)cyclobutane has a molecular weight of 134.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-2-(1-methylcyclopropyl)cyclobutane is sourced from PubChem (CID 123495241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).