(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one

C10H18O — CID 6992619

IUPAC(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
SMILESCC[C@H](C)[C@@H]1CCCCC1=O
InChIInChI=1S/C10H18O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyRQXTZKGDMNIWJF-IUCAKERBSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds2

About (2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one

(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one (PubChem CID 6992619) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
PubChem CID6992619
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
SMILESCC[C@H](C)[C@@H]1CCCCC1=O
InChIInChI=1S/C10H18O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyRQXTZKGDMNIWJF-IUCAKERBSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one?
The IUPAC name of (2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one (CID 6992619) is (2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one.
What is the SMILES notation for (2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one?
The canonical SMILES for (2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one is CC[C@H](C)[C@@H]1CCCCC1=O.
What is the InChIKey of (2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one?
The InChIKey is RQXTZKGDMNIWJF-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one?
(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one is sourced from PubChem (CID 6992619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).