cyclohexyl 3-iodo-2-methylpropanoate

C10H17IO2 — CID 155283171

IUPACcyclohexyl 3-iodo-2-methylpropanoate
SMILESCC(CI)C(=O)OC1CCCCC1
InChIInChI=1S/C10H17IO2/c1-8(7-11)10(12)13-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3
InChIKeyNWCUYTMZUZERHP-UHFFFAOYSA-N
MW296.15 g/mol
LogP2.93
Rot. Bonds3

About cyclohexyl 3-iodo-2-methylpropanoate

cyclohexyl 3-iodo-2-methylpropanoate (PubChem CID 155283171) has the molecular formula C10H17IO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is cyclohexyl 3-iodo-2-methylpropanoate.

Molecular Properties

Compound Namecyclohexyl 3-iodo-2-methylpropanoate
PubChem CID155283171
Molecular FormulaC10H17IO2
Molecular Weight296.15 g/mol
Exact Mass296.03
IUPAC Namecyclohexyl 3-iodo-2-methylpropanoate
SMILESCC(CI)C(=O)OC1CCCCC1
InChIInChI=1S/C10H17IO2/c1-8(7-11)10(12)13-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3
InChIKeyNWCUYTMZUZERHP-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cycloheptyl 3-amino-2-methylpropanoate
CID 62668819
cycloheptyl 6-hydroxy-2-methylhexanoate
CID 122575742
[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
CID 86325429
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate
CID 141216694
cyclohexyl 2-aminopropanoate;ethene
CID 144654176
cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
tetracyclohexyl butane-1,2,3,4-tetracarboxylate
CID 91735158
cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
cyclohexyl acetate;iodoethane
CID 174262238
cycloheptyl iodomethyl carbonate
CID 86119288

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-iodo-2-methylpropanoate?
The IUPAC name of cyclohexyl 3-iodo-2-methylpropanoate (CID 155283171) is cyclohexyl 3-iodo-2-methylpropanoate.
What is the SMILES notation for cyclohexyl 3-iodo-2-methylpropanoate?
The canonical SMILES for cyclohexyl 3-iodo-2-methylpropanoate is CC(CI)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 3-iodo-2-methylpropanoate?
The InChIKey is NWCUYTMZUZERHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IO2/c1-8(7-11)10(12)13-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3.
What are the key properties of cyclohexyl 3-iodo-2-methylpropanoate?
cyclohexyl 3-iodo-2-methylpropanoate has a molecular weight of 296.15 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-iodo-2-methylpropanoate is sourced from PubChem (CID 155283171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).