7-iodo-3,5-dimethylhept-1-en-4-ol

C9H17IO — CID 18921061

IUPAC7-iodo-3,5-dimethylhept-1-en-4-ol
SMILESC=CC(C)C(O)C(C)CCI
InChIInChI=1S/C9H17IO/c1-4-7(2)9(11)8(3)5-6-10/h4,7-9,11H,1,5-6H2,2-3H3
InChIKeyOGMCBUABZYUGOQ-UHFFFAOYSA-N
MW268.14 g/mol
LogP2.63
Rot. Bonds5

About 7-iodo-3,5-dimethylhept-1-en-4-ol

7-iodo-3,5-dimethylhept-1-en-4-ol (PubChem CID 18921061) has the molecular formula C9H17IO and a molecular weight of 268.14 g/mol. Its IUPAC name is 7-iodo-3,5-dimethylhept-1-en-4-ol.

Molecular Properties

Compound Name7-iodo-3,5-dimethylhept-1-en-4-ol
PubChem CID18921061
Molecular FormulaC9H17IO
Molecular Weight268.14 g/mol
Exact Mass268.03
IUPAC Name7-iodo-3,5-dimethylhept-1-en-4-ol
SMILESC=CC(C)C(O)C(C)CCI
InChIInChI=1S/C9H17IO/c1-4-7(2)9(11)8(3)5-6-10/h4,7-9,11H,1,5-6H2,2-3H3
InChIKeyOGMCBUABZYUGOQ-UHFFFAOYSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 52.63
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 7-iodo-3,5-dimethylhept-1-en-4-ol?
The IUPAC name of 7-iodo-3,5-dimethylhept-1-en-4-ol (CID 18921061) is 7-iodo-3,5-dimethylhept-1-en-4-ol.
What is the SMILES notation for 7-iodo-3,5-dimethylhept-1-en-4-ol?
The canonical SMILES for 7-iodo-3,5-dimethylhept-1-en-4-ol is C=CC(C)C(O)C(C)CCI.
What is the InChIKey of 7-iodo-3,5-dimethylhept-1-en-4-ol?
The InChIKey is OGMCBUABZYUGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IO/c1-4-7(2)9(11)8(3)5-6-10/h4,7-9,11H,1,5-6H2,2-3H3.
What are the key properties of 7-iodo-3,5-dimethylhept-1-en-4-ol?
7-iodo-3,5-dimethylhept-1-en-4-ol has a molecular weight of 268.14 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-3,5-dimethylhept-1-en-4-ol is sourced from PubChem (CID 18921061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).