6-iodo-4-methylhexan-1-ol

C7H15IO — CID 139625699

IUPAC6-iodo-4-methylhexan-1-ol
SMILESCC(CCI)CCCO
InChIInChI=1S/C7H15IO/c1-7(4-5-8)3-2-6-9/h7,9H,2-6H2,1H3
InChIKeyWSZPVKGRUMZIJX-UHFFFAOYSA-N
MW242.10 g/mol
LogP2.22
Rot. Bonds5

About 6-iodo-4-methylhexan-1-ol

6-iodo-4-methylhexan-1-ol (PubChem CID 139625699) has the molecular formula C7H15IO and a molecular weight of 242.10 g/mol. Its IUPAC name is 6-iodo-4-methylhexan-1-ol.

Molecular Properties

Compound Name6-iodo-4-methylhexan-1-ol
PubChem CID139625699
Molecular FormulaC7H15IO
Molecular Weight242.10 g/mol
Exact Mass242.02
IUPAC Name6-iodo-4-methylhexan-1-ol
SMILESCC(CCI)CCCO
InChIInChI=1S/C7H15IO/c1-7(4-5-8)3-2-6-9/h7,9H,2-6H2,1H3
InChIKeyWSZPVKGRUMZIJX-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 52.22
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

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CID 71342609
CID 59707573
CID 59707573
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
4,7-dimethylnonan-1-ol
CID 87272409
8,12-dimethylicosane-1,20-diol
CID 170848864
4-methyloctan-1-ol;propan-2-ol
CID 18620283
(2R)-4-iodo-2-methylbutan-1-ol
CID 139766898
3-methyldecane-1,10-diol
CID 22596513
(4S,6S)-4,6,9-trimethyloctadecane-1,18-diol
CID 58388501
(5S)-5-methyloctan-1-ol
CID 14902476
2,4-dimethylheptane-1,7-diol
CID 175358767

Frequently Asked Questions

What is the IUPAC name of 6-iodo-4-methylhexan-1-ol?
The IUPAC name of 6-iodo-4-methylhexan-1-ol (CID 139625699) is 6-iodo-4-methylhexan-1-ol.
What is the SMILES notation for 6-iodo-4-methylhexan-1-ol?
The canonical SMILES for 6-iodo-4-methylhexan-1-ol is CC(CCI)CCCO.
What is the InChIKey of 6-iodo-4-methylhexan-1-ol?
The InChIKey is WSZPVKGRUMZIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IO/c1-7(4-5-8)3-2-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 6-iodo-4-methylhexan-1-ol?
6-iodo-4-methylhexan-1-ol has a molecular weight of 242.10 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-4-methylhexan-1-ol is sourced from PubChem (CID 139625699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).