6-iodo-2,4-dimethylhept-2-en-1-ol

C9H17IO — CID 54317872

IUPAC6-iodo-2,4-dimethylhept-2-en-1-ol
SMILESCC(=CC(C)CC(C)I)CO
InChIInChI=1S/C9H17IO/c1-7(5-9(3)10)4-8(2)6-11/h4,7,9,11H,5-6H2,1-3H3
InChIKeyRDVJSOBRLNEZPA-UHFFFAOYSA-N
MW268.14 g/mol
LogP2.77
Rot. Bonds4

About 6-iodo-2,4-dimethylhept-2-en-1-ol

6-iodo-2,4-dimethylhept-2-en-1-ol (PubChem CID 54317872) has the molecular formula C9H17IO and a molecular weight of 268.14 g/mol. Its IUPAC name is 6-iodo-2,4-dimethylhept-2-en-1-ol.

Molecular Properties

Compound Name6-iodo-2,4-dimethylhept-2-en-1-ol
PubChem CID54317872
Molecular FormulaC9H17IO
Molecular Weight268.14 g/mol
Exact Mass268.03
IUPAC Name6-iodo-2,4-dimethylhept-2-en-1-ol
SMILESCC(=CC(C)CC(C)I)CO
InChIInChI=1S/C9H17IO/c1-7(5-9(3)10)4-8(2)6-11/h4,7,9,11H,5-6H2,1-3H3
InChIKeyRDVJSOBRLNEZPA-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 52.77
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-2,4-dimethylhept-2-en-1-ol?
The IUPAC name of 6-iodo-2,4-dimethylhept-2-en-1-ol (CID 54317872) is 6-iodo-2,4-dimethylhept-2-en-1-ol.
What is the SMILES notation for 6-iodo-2,4-dimethylhept-2-en-1-ol?
The canonical SMILES for 6-iodo-2,4-dimethylhept-2-en-1-ol is CC(=CC(C)CC(C)I)CO.
What is the InChIKey of 6-iodo-2,4-dimethylhept-2-en-1-ol?
The InChIKey is RDVJSOBRLNEZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IO/c1-7(5-9(3)10)4-8(2)6-11/h4,7,9,11H,5-6H2,1-3H3.
What are the key properties of 6-iodo-2,4-dimethylhept-2-en-1-ol?
6-iodo-2,4-dimethylhept-2-en-1-ol has a molecular weight of 268.14 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2,4-dimethylhept-2-en-1-ol is sourced from PubChem (CID 54317872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).