[(1S,2S)-2-methylcyclobutyl]benzene

C11H14 — CID 5314354

IUPAC[(1S,2S)-2-methylcyclobutyl]benzene
SMILESC[C@H]1CC[C@@H]1c1ccccc1
InChIInChI=1S/C11H14/c1-9-7-8-11(9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11-/m0/s1
InChIKeyITGIKNADGPTMKM-ONGXEEELSA-N
MW146.23 g/mol
LogP3.20
Rot. Bonds1

About [(1S,2S)-2-methylcyclobutyl]benzene

[(1S,2S)-2-methylcyclobutyl]benzene (PubChem CID 5314354) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is [(1S,2S)-2-methylcyclobutyl]benzene.

Molecular Properties

Compound Name[(1S,2S)-2-methylcyclobutyl]benzene
PubChem CID5314354
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name[(1S,2S)-2-methylcyclobutyl]benzene
SMILESC[C@H]1CC[C@@H]1c1ccccc1
InChIInChI=1S/C11H14/c1-9-7-8-11(9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11-/m0/s1
InChIKeyITGIKNADGPTMKM-ONGXEEELSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methylcyclobutyl]benzene?
The IUPAC name of [(1S,2S)-2-methylcyclobutyl]benzene (CID 5314354) is [(1S,2S)-2-methylcyclobutyl]benzene.
What is the SMILES notation for [(1S,2S)-2-methylcyclobutyl]benzene?
The canonical SMILES for [(1S,2S)-2-methylcyclobutyl]benzene is C[C@H]1CC[C@@H]1c1ccccc1.
What is the InChIKey of [(1S,2S)-2-methylcyclobutyl]benzene?
The InChIKey is ITGIKNADGPTMKM-ONGXEEELSA-N. The full InChI is InChI=1S/C11H14/c1-9-7-8-11(9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11-/m0/s1.
What are the key properties of [(1S,2S)-2-methylcyclobutyl]benzene?
[(1S,2S)-2-methylcyclobutyl]benzene has a molecular weight of 146.23 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methylcyclobutyl]benzene is sourced from PubChem (CID 5314354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).