[(1S)-2-tert-butylcyclopropyl]benzene

C13H18 — CID 59541250

IUPAC[(1S)-2-tert-butylcyclopropyl]benzene
SMILESCC(C)(C)C1C[C@@H]1c1ccccc1
InChIInChI=1S/C13H18/c1-13(2,3)12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3/t11-,12?/m1/s1
InChIKeyWZWFYTWSMRJZIT-JHJMLUEUSA-N
MW174.29 g/mol
LogP3.84
Rot. Bonds1

About [(1S)-2-tert-butylcyclopropyl]benzene

[(1S)-2-tert-butylcyclopropyl]benzene (PubChem CID 59541250) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is [(1S)-2-tert-butylcyclopropyl]benzene.

Molecular Properties

Compound Name[(1S)-2-tert-butylcyclopropyl]benzene
PubChem CID59541250
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name[(1S)-2-tert-butylcyclopropyl]benzene
SMILESCC(C)(C)C1C[C@@H]1c1ccccc1
InChIInChI=1S/C13H18/c1-13(2,3)12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3/t11-,12?/m1/s1
InChIKeyWZWFYTWSMRJZIT-JHJMLUEUSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-tert-butylcyclopropyl]benzene?
The IUPAC name of [(1S)-2-tert-butylcyclopropyl]benzene (CID 59541250) is [(1S)-2-tert-butylcyclopropyl]benzene.
What is the SMILES notation for [(1S)-2-tert-butylcyclopropyl]benzene?
The canonical SMILES for [(1S)-2-tert-butylcyclopropyl]benzene is CC(C)(C)C1C[C@@H]1c1ccccc1.
What is the InChIKey of [(1S)-2-tert-butylcyclopropyl]benzene?
The InChIKey is WZWFYTWSMRJZIT-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H18/c1-13(2,3)12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of [(1S)-2-tert-butylcyclopropyl]benzene?
[(1S)-2-tert-butylcyclopropyl]benzene has a molecular weight of 174.29 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-tert-butylcyclopropyl]benzene is sourced from PubChem (CID 59541250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).