(3R)-3-iodo-3-methylcyclohexan-1-one

C7H11IO — CID 165020728

IUPAC(3R)-3-iodo-3-methylcyclohexan-1-one
SMILESC[C@@]1(I)CCCC(=O)C1
InChIInChI=1S/C7H11IO/c1-7(8)4-2-3-6(9)5-7/h2-5H2,1H3/t7-/m1/s1
InChIKeyLCRTYOHKIBUCNX-SSDOTTSWSA-N
MW238.07 g/mol
LogP2.32
Rot. Bonds

About (3R)-3-iodo-3-methylcyclohexan-1-one

(3R)-3-iodo-3-methylcyclohexan-1-one (PubChem CID 165020728) has the molecular formula C7H11IO and a molecular weight of 238.07 g/mol. Its IUPAC name is (3R)-3-iodo-3-methylcyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-iodo-3-methylcyclohexan-1-one
PubChem CID165020728
Molecular FormulaC7H11IO
Molecular Weight238.07 g/mol
Exact Mass237.99
IUPAC Name(3R)-3-iodo-3-methylcyclohexan-1-one
SMILESC[C@@]1(I)CCCC(=O)C1
InChIInChI=1S/C7H11IO/c1-7(8)4-2-3-6(9)5-7/h2-5H2,1H3/t7-/m1/s1
InChIKeyLCRTYOHKIBUCNX-SSDOTTSWSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-sulfanylcyclohexan-1-one
CID 86138947
3,3-dimethylcycloheptan-1-one
CID 12702041
1-methyl-3-oxocyclohexane-1-carbaldehyde
CID 13394827
(3R)-3-methyl-3-propylcyclohexan-1-one
CID 131183126
4,4-dimethylspiro[5.5]undecane-2,10-dione
CID 10798425
3-hydroxy-3-methylcyclopentadecan-1-one
CID 11311367
(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594
methyl (1R)-1-methyl-3-oxocyclohexane-1-carboxylate
CID 12576327
2,3,3,4,4-pentamethylspiro[4.5]decan-9-one
CID 69110976
3-methyl-3-(2-oxocyclohexyl)cyclohexan-1-one
CID 100969318
spiro[4.6]undecan-10-one
CID 15638085
(3R)-3-methyl-3-(1-nitroethyl)cyclohexan-1-one
CID 102473677

Frequently Asked Questions

What is the IUPAC name of (3R)-3-iodo-3-methylcyclohexan-1-one?
The IUPAC name of (3R)-3-iodo-3-methylcyclohexan-1-one (CID 165020728) is (3R)-3-iodo-3-methylcyclohexan-1-one.
What is the SMILES notation for (3R)-3-iodo-3-methylcyclohexan-1-one?
The canonical SMILES for (3R)-3-iodo-3-methylcyclohexan-1-one is C[C@@]1(I)CCCC(=O)C1.
What is the InChIKey of (3R)-3-iodo-3-methylcyclohexan-1-one?
The InChIKey is LCRTYOHKIBUCNX-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11IO/c1-7(8)4-2-3-6(9)5-7/h2-5H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-3-iodo-3-methylcyclohexan-1-one?
(3R)-3-iodo-3-methylcyclohexan-1-one has a molecular weight of 238.07 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-iodo-3-methylcyclohexan-1-one is sourced from PubChem (CID 165020728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).