1-ethynyl-1,2,2,3,3-pentamethylcyclopropane

C10H16 — CID 59937111

IUPAC1-ethynyl-1,2,2,3,3-pentamethylcyclopropane
SMILESC#CC1(C)C(C)(C)C1(C)C
InChIInChI=1S/C10H16/c1-7-10(6)8(2,3)9(10,4)5/h1H,2-6H3
InChIKeyKWKXEJMNNYWBHF-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.69
Rot. Bonds

About 1-ethynyl-1,2,2,3,3-pentamethylcyclopropane

1-ethynyl-1,2,2,3,3-pentamethylcyclopropane (PubChem CID 59937111) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-ethynyl-1,2,2,3,3-pentamethylcyclopropane.

Molecular Properties

Compound Name1-ethynyl-1,2,2,3,3-pentamethylcyclopropane
PubChem CID59937111
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-ethynyl-1,2,2,3,3-pentamethylcyclopropane
SMILESC#CC1(C)C(C)(C)C1(C)C
InChIInChI=1S/C10H16/c1-7-10(6)8(2,3)9(10,4)5/h1H,2-6H3
InChIKeyKWKXEJMNNYWBHF-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.69
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

(2-Methylbut-3-yn-2-yl)cyclopropane
CID 54383554
1-Ethynyl-1-(propan-2-yl)cyclopropane
CID 123678021
Cyclopropane, 1-(3,3-dimethyl-1-butynyl)-1-fluoro-2,2,3,3-tetramethyl-
CID 534813
Cyclopropane, 1-fluoro-1-(1-hexynyl)-2,2,3,3-tetramethyl-
CID 12023139
cis-(1S,3S)-1-fluoro-1-hex-1-ynyl-2,2,3-trimethylcyclopropane
CID 134933683
trans-(1R,3S)-1-fluoro-1-hex-1-ynyl-2,2,3-trimethylcyclopropane
CID 134986127
Cyclopropane, 1-fluoro-1,2,3,3-tetramethyl-2-(1-hexynyl)-
CID 535279
1-Fluoro-1-hex-1-ynyl-2,2-dimethyl-cyclopropane
CID 6424237
3-Ethynyl-1,1,2,2-tetramethylcyclopropane
CID 13674389
1-Ethynyl-1,2,2-trimethylcyclopropane
CID 177369693
1,1-Diethynyl-2,2,3,3-tetramethylcyclopropane
CID 91333152
1,2-Diethynyl-1-methylcyclopropane
CID 134888032

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-1,2,2,3,3-pentamethylcyclopropane?
The IUPAC name of 1-ethynyl-1,2,2,3,3-pentamethylcyclopropane (CID 59937111) is 1-ethynyl-1,2,2,3,3-pentamethylcyclopropane.
What is the SMILES notation for 1-ethynyl-1,2,2,3,3-pentamethylcyclopropane?
The canonical SMILES for 1-ethynyl-1,2,2,3,3-pentamethylcyclopropane is C#CC1(C)C(C)(C)C1(C)C.
What is the InChIKey of 1-ethynyl-1,2,2,3,3-pentamethylcyclopropane?
The InChIKey is KWKXEJMNNYWBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7-10(6)8(2,3)9(10,4)5/h1H,2-6H3.
What are the key properties of 1-ethynyl-1,2,2,3,3-pentamethylcyclopropane?
1-ethynyl-1,2,2,3,3-pentamethylcyclopropane has a molecular weight of 136.24 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-1,2,2,3,3-pentamethylcyclopropane is sourced from PubChem (CID 59937111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).