(2R)-2-pentylcyclohexan-1-one

C11H20O — CID 86310435

IUPAC(2R)-2-pentylcyclohexan-1-one
SMILESCCCCC[C@@H]1CCCCC1=O
InChIInChI=1S/C11H20O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10H,2-9H2,1H3/t10-/m1/s1
InChIKeyUXJMXERXJQAWSP-SNVBAGLBSA-N
MW168.28 g/mol
LogP3.33
Rot. Bonds4

About (2R)-2-pentylcyclohexan-1-one

(2R)-2-pentylcyclohexan-1-one (PubChem CID 86310435) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2R)-2-pentylcyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-pentylcyclohexan-1-one
PubChem CID86310435
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2R)-2-pentylcyclohexan-1-one
SMILESCCCCC[C@@H]1CCCCC1=O
InChIInChI=1S/C11H20O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10H,2-9H2,1H3/t10-/m1/s1
InChIKeyUXJMXERXJQAWSP-SNVBAGLBSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Menthone
CID 26447
2-Methylcyclohexanone
CID 11419
3-Methylcyclohexanone
CID 11567
4-Methylcyclohexanone
CID 11525
3,3,5-Trimethylcyclohexanone
CID 13398
(+)-Isomenthone
CID 70962
p-Mentha-8-thiol-3-one
CID 61982
Muskone
CID 10947
p-Menthan-3-one
CID 6986
Isomenthone, (+-)-
CID 6432469
4-tert-Butylcyclohexanone
CID 7392
6-Methyl-2-heptanone
CID 13572

Frequently Asked Questions

What is the IUPAC name of (2R)-2-pentylcyclohexan-1-one?
The IUPAC name of (2R)-2-pentylcyclohexan-1-one (CID 86310435) is (2R)-2-pentylcyclohexan-1-one.
What is the SMILES notation for (2R)-2-pentylcyclohexan-1-one?
The canonical SMILES for (2R)-2-pentylcyclohexan-1-one is CCCCC[C@@H]1CCCCC1=O.
What is the InChIKey of (2R)-2-pentylcyclohexan-1-one?
The InChIKey is UXJMXERXJQAWSP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-pentylcyclohexan-1-one?
(2R)-2-pentylcyclohexan-1-one has a molecular weight of 168.28 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pentylcyclohexan-1-one is sourced from PubChem (CID 86310435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).