1,1-ditert-butyl-2-ethenylcyclopropane

C13H24 — CID 59716985

IUPAC1,1-ditert-butyl-2-ethenylcyclopropane
SMILESC=CC1CC1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24/c1-8-10-9-13(10,11(2,3)4)12(5,6)7/h8,10H,1,9H2,2-7H3
InChIKeyKIAFBPPSYFTHEL-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.27
Rot. Bonds1

About 1,1-ditert-butyl-2-ethenylcyclopropane

1,1-ditert-butyl-2-ethenylcyclopropane (PubChem CID 59716985) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,1-ditert-butyl-2-ethenylcyclopropane.

Molecular Properties

Compound Name1,1-ditert-butyl-2-ethenylcyclopropane
PubChem CID59716985
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,1-ditert-butyl-2-ethenylcyclopropane
SMILESC=CC1CC1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24/c1-8-10-9-13(10,11(2,3)4)12(5,6)7/h8,10H,1,9H2,2-7H3
InChIKeyKIAFBPPSYFTHEL-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-2-ethenyl-1-isocyanocyclopropane
CID 169032002
(2S)-1-chloro-2-ethenyl-1-fluorocyclopropane
CID 134934177
cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate
CID 68578844
2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane
CID 13298799
1,1,2-tritert-butylcyclopropane
CID 12714136
2-[2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-hydroxyacetic acid
CID 70318268
tert-butyl N-[(1S,2S)-2-ethenyl-1-iodocyclopropyl]carbamate
CID 89201848
(2-ethenyl-1-methylcyclobutyl)silane
CID 173136645
(2-ethenyl-1-methylcyclopropyl)methanimine
CID 91437262
3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane
CID 163966943
tert-butyl N-[(1S,2R)-1-acetyl-2-ethenylcyclopropyl]carbamate
CID 59554078
2-ethenyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-en-2-yl]cyclopropane-1-carboxylic acid
CID 174563489

Frequently Asked Questions

What is the IUPAC name of 1,1-ditert-butyl-2-ethenylcyclopropane?
The IUPAC name of 1,1-ditert-butyl-2-ethenylcyclopropane (CID 59716985) is 1,1-ditert-butyl-2-ethenylcyclopropane.
What is the SMILES notation for 1,1-ditert-butyl-2-ethenylcyclopropane?
The canonical SMILES for 1,1-ditert-butyl-2-ethenylcyclopropane is C=CC1CC1(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1,1-ditert-butyl-2-ethenylcyclopropane?
The InChIKey is KIAFBPPSYFTHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-8-10-9-13(10,11(2,3)4)12(5,6)7/h8,10H,1,9H2,2-7H3.
What are the key properties of 1,1-ditert-butyl-2-ethenylcyclopropane?
1,1-ditert-butyl-2-ethenylcyclopropane has a molecular weight of 180.33 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-ditert-butyl-2-ethenylcyclopropane is sourced from PubChem (CID 59716985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).