(2S)-2-(cyclohexylmethyl)cyclobutan-1-one

C11H18O — CID 163908337

IUPAC(2S)-2-(cyclohexylmethyl)cyclobutan-1-one
SMILESO=C1CC[C@H]1CC1CCCCC1
InChIInChI=1S/C11H18O/c12-11-7-6-10(11)8-9-4-2-1-3-5-9/h9-10H,1-8H2/t10-/m0/s1
InChIKeyQPXQRIXJFVDCQL-JTQLQIEISA-N
MW166.26 g/mol
LogP2.94
Rot. Bonds2

About (2S)-2-(cyclohexylmethyl)cyclobutan-1-one

(2S)-2-(cyclohexylmethyl)cyclobutan-1-one (PubChem CID 163908337) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2S)-2-(cyclohexylmethyl)cyclobutan-1-one.

Molecular Properties

Compound Name(2S)-2-(cyclohexylmethyl)cyclobutan-1-one
PubChem CID163908337
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2S)-2-(cyclohexylmethyl)cyclobutan-1-one
SMILESO=C1CC[C@H]1CC1CCCCC1
InChIInChI=1S/C11H18O/c12-11-7-6-10(11)8-9-4-2-1-3-5-9/h9-10H,1-8H2/t10-/m0/s1
InChIKeyQPXQRIXJFVDCQL-JTQLQIEISA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylmethyl)cyclobutan-1-one?
The IUPAC name of (2S)-2-(cyclohexylmethyl)cyclobutan-1-one (CID 163908337) is (2S)-2-(cyclohexylmethyl)cyclobutan-1-one.
What is the SMILES notation for (2S)-2-(cyclohexylmethyl)cyclobutan-1-one?
The canonical SMILES for (2S)-2-(cyclohexylmethyl)cyclobutan-1-one is O=C1CC[C@H]1CC1CCCCC1.
What is the InChIKey of (2S)-2-(cyclohexylmethyl)cyclobutan-1-one?
The InChIKey is QPXQRIXJFVDCQL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18O/c12-11-7-6-10(11)8-9-4-2-1-3-5-9/h9-10H,1-8H2/t10-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylmethyl)cyclobutan-1-one?
(2S)-2-(cyclohexylmethyl)cyclobutan-1-one has a molecular weight of 166.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylmethyl)cyclobutan-1-one is sourced from PubChem (CID 163908337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).