1-iodo-4-methylhept-1-ene-3,4-diol

C8H15IO2 — CID 57066510

IUPAC1-iodo-4-methylhept-1-ene-3,4-diol
SMILESCCCC(C)(O)C(O)C=CI
InChIInChI=1S/C8H15IO2/c1-3-5-8(2,11)7(10)4-6-9/h4,6-7,10-11H,3,5H2,1-2H3
InChIKeyGNSGVWPGWCFQSH-UHFFFAOYSA-N
MW270.11 g/mol
LogP1.85
Rot. Bonds4

About 1-iodo-4-methylhept-1-ene-3,4-diol

1-iodo-4-methylhept-1-ene-3,4-diol (PubChem CID 57066510) has the molecular formula C8H15IO2 and a molecular weight of 270.11 g/mol. Its IUPAC name is 1-iodo-4-methylhept-1-ene-3,4-diol.

Molecular Properties

Compound Name1-iodo-4-methylhept-1-ene-3,4-diol
PubChem CID57066510
Molecular FormulaC8H15IO2
Molecular Weight270.11 g/mol
Exact Mass270.01
IUPAC Name1-iodo-4-methylhept-1-ene-3,4-diol
SMILESCCCC(C)(O)C(O)C=CI
InChIInChI=1S/C8H15IO2/c1-3-5-8(2,11)7(10)4-6-9/h4,6-7,10-11H,3,5H2,1-2H3
InChIKeyGNSGVWPGWCFQSH-UHFFFAOYSA-N
XLogP1.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,3S,4R)-1-iodo-3-methylhex-1-ene-3,4-diol
CID 135027786
(2R,3S)-3-methylhept-6-ene-2,3-diol
CID 76764152
3-Ethenylheptane-2,3-diol
CID 14869931
(E)-1-iodo-4-methylnon-1-ene-3,4-diol
CID 20347277
(E)-1-iodo-3-methylnon-1-ene-3,4-diol
CID 20347278
(E)-1-iodo-4-methyldec-1-ene-3,4-diol
CID 20347284
(E)-1-iodo-3-methyldec-1-ene-3,4-diol
CID 20347285
(E)-1-iodo-4-methyloct-1-ene-3,4-diol
CID 20347292
(E)-1-iodo-3-methyloct-1-ene-3,4-diol
CID 20347293
(E)-1-iodo-3-methylhept-1-ene-3,4-diol
CID 20347294
(E)-1-iodo-4-methylhept-1-ene-3,4-diol
CID 20347298
3-Ethylhept-6-ene-2,3-diol
CID 56980135

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-methylhept-1-ene-3,4-diol?
The IUPAC name of 1-iodo-4-methylhept-1-ene-3,4-diol (CID 57066510) is 1-iodo-4-methylhept-1-ene-3,4-diol.
What is the SMILES notation for 1-iodo-4-methylhept-1-ene-3,4-diol?
The canonical SMILES for 1-iodo-4-methylhept-1-ene-3,4-diol is CCCC(C)(O)C(O)C=CI.
What is the InChIKey of 1-iodo-4-methylhept-1-ene-3,4-diol?
The InChIKey is GNSGVWPGWCFQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IO2/c1-3-5-8(2,11)7(10)4-6-9/h4,6-7,10-11H,3,5H2,1-2H3.
What are the key properties of 1-iodo-4-methylhept-1-ene-3,4-diol?
1-iodo-4-methylhept-1-ene-3,4-diol has a molecular weight of 270.11 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-methylhept-1-ene-3,4-diol is sourced from PubChem (CID 57066510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).