1-iodo-3-methylcyclopentan-1-ol

C6H11IO — CID 142079535

IUPAC1-iodo-3-methylcyclopentan-1-ol
SMILESCC1CCC(O)(I)C1
InChIInChI=1S/C6H11IO/c1-5-2-3-6(7,8)4-5/h5,8H,2-4H2,1H3
InChIKeyHOFKQSUHNUBIMN-UHFFFAOYSA-N
MW226.06 g/mol
LogP1.93
Rot. Bonds

About 1-iodo-3-methylcyclopentan-1-ol

1-iodo-3-methylcyclopentan-1-ol (PubChem CID 142079535) has the molecular formula C6H11IO and a molecular weight of 226.06 g/mol. Its IUPAC name is 1-iodo-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-iodo-3-methylcyclopentan-1-ol
PubChem CID142079535
Molecular FormulaC6H11IO
Molecular Weight226.06 g/mol
Exact Mass225.99
IUPAC Name1-iodo-3-methylcyclopentan-1-ol
SMILESCC1CCC(O)(I)C1
InChIInChI=1S/C6H11IO/c1-5-2-3-6(7,8)4-5/h5,8H,2-4H2,1H3
InChIKeyHOFKQSUHNUBIMN-UHFFFAOYSA-N
XLogP1.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 51.93
H-Bond Donors ≤ 51
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

(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
1-hydroxy-3-methylcyclopentane-1-carboxylic acid
CID 43142852
2,7-dimethylspiro[3.4]octane
CID 142902956
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
1-cyclohexyl-3-methylcyclopentan-1-ol
CID 64515969
3-methyl-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 64515514
1-(iodomethyl)-4-methylcyclohexan-1-ol
CID 114775211
1,2,6-trimethylspiro[2.4]heptane
CID 123183171
(3S)-1,1-difluoro-3-methylcyclopentane
CID 59434161
1-[1-(aminomethyl)-3-methylcyclopentyl]cycloheptan-1-ol
CID 79128862
3-iodo-8-methylspiro[4.4]nonane
CID 154690645
3-methyl-1-prop-2-enylcyclopentan-1-ol
CID 10034708

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-methylcyclopentan-1-ol?
The IUPAC name of 1-iodo-3-methylcyclopentan-1-ol (CID 142079535) is 1-iodo-3-methylcyclopentan-1-ol.
What is the SMILES notation for 1-iodo-3-methylcyclopentan-1-ol?
The canonical SMILES for 1-iodo-3-methylcyclopentan-1-ol is CC1CCC(O)(I)C1.
What is the InChIKey of 1-iodo-3-methylcyclopentan-1-ol?
The InChIKey is HOFKQSUHNUBIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO/c1-5-2-3-6(7,8)4-5/h5,8H,2-4H2,1H3.
What are the key properties of 1-iodo-3-methylcyclopentan-1-ol?
1-iodo-3-methylcyclopentan-1-ol has a molecular weight of 226.06 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methylcyclopentan-1-ol is sourced from PubChem (CID 142079535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).