(3R)-3-methyl-3-propylcyclohexan-1-one

C10H18O — CID 131183126

IUPAC(3R)-3-methyl-3-propylcyclohexan-1-one
SMILESCCC[C@]1(C)CCCC(=O)C1
InChIInChI=1S/C10H18O/c1-3-6-10(2)7-4-5-9(11)8-10/h3-8H2,1-2H3/t10-/m1/s1
InChIKeyILFHYIVYKILILU-SNVBAGLBSA-N
MW154.25 g/mol
LogP2.94
Rot. Bonds2

About (3R)-3-methyl-3-propylcyclohexan-1-one

(3R)-3-methyl-3-propylcyclohexan-1-one (PubChem CID 131183126) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3R)-3-methyl-3-propylcyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-methyl-3-propylcyclohexan-1-one
PubChem CID131183126
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3R)-3-methyl-3-propylcyclohexan-1-one
SMILESCCC[C@]1(C)CCCC(=O)C1
InChIInChI=1S/C10H18O/c1-3-6-10(2)7-4-5-9(11)8-10/h3-8H2,1-2H3/t10-/m1/s1
InChIKeyILFHYIVYKILILU-SNVBAGLBSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Menthone
CID 26447
3,3,5-Trimethylcyclohexanone
CID 13398
(+)-Isomenthone
CID 70962
p-Menthan-3-one
CID 6986
Isomenthone, (+-)-
CID 6432469
4-tert-Butylcyclohexanone
CID 7392
2-sec-Butyl cyclohexanone
CID 61771
2,2,6-Trimethylcyclohexanone
CID 17000
(+)-Menthone
CID 443159
4-Propylcyclohexanone
CID 142482
6,10-Dimethylundecan-2-one
CID 95495
Cyclohexanone, 2-methyl-5-(1-methylethyl)-
CID 10362

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-propylcyclohexan-1-one?
The IUPAC name of (3R)-3-methyl-3-propylcyclohexan-1-one (CID 131183126) is (3R)-3-methyl-3-propylcyclohexan-1-one.
What is the SMILES notation for (3R)-3-methyl-3-propylcyclohexan-1-one?
The canonical SMILES for (3R)-3-methyl-3-propylcyclohexan-1-one is CCC[C@]1(C)CCCC(=O)C1.
What is the InChIKey of (3R)-3-methyl-3-propylcyclohexan-1-one?
The InChIKey is ILFHYIVYKILILU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18O/c1-3-6-10(2)7-4-5-9(11)8-10/h3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-3-propylcyclohexan-1-one?
(3R)-3-methyl-3-propylcyclohexan-1-one has a molecular weight of 154.25 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 (3R)-3-methyl-3-propylcyclohexan-1-one is sourced from PubChem (CID 131183126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).