1-tert-butyl-2-methylidenecyclopropane

C8H14 — CID 565327

IUPAC1-tert-butyl-2-methylidenecyclopropane
SMILESC=C1CC1C(C)(C)C
InChIInChI=1S/C8H14/c1-6-5-7(6)8(2,3)4/h7H,1,5H2,2-4H3
InChIKeyNAEOWURDYXPYAT-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.61
Rot. Bonds

About 1-tert-butyl-2-methylidenecyclopropane

1-tert-butyl-2-methylidenecyclopropane (PubChem CID 565327) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1-tert-butyl-2-methylidenecyclopropane.

Molecular Properties

Compound Name1-tert-butyl-2-methylidenecyclopropane
PubChem CID565327
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1-tert-butyl-2-methylidenecyclopropane
SMILESC=C1CC1C(C)(C)C
InChIInChI=1S/C8H14/c1-6-5-7(6)8(2,3)4/h7H,1,5H2,2-4H3
InChIKeyNAEOWURDYXPYAT-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methylidenecyclopropane?
The IUPAC name of 1-tert-butyl-2-methylidenecyclopropane (CID 565327) is 1-tert-butyl-2-methylidenecyclopropane.
What is the SMILES notation for 1-tert-butyl-2-methylidenecyclopropane?
The canonical SMILES for 1-tert-butyl-2-methylidenecyclopropane is C=C1CC1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methylidenecyclopropane?
The InChIKey is NAEOWURDYXPYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-6-5-7(6)8(2,3)4/h7H,1,5H2,2-4H3.
What are the key properties of 1-tert-butyl-2-methylidenecyclopropane?
1-tert-butyl-2-methylidenecyclopropane has a molecular weight of 110.20 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methylidenecyclopropane is sourced from PubChem (CID 565327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).