(2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol

C7H11IO — CID 102203445

IUPAC(2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol
SMILESC/C(=C\I)C/C=C\CO
InChIInChI=1S/C7H11IO/c1-7(6-8)4-2-3-5-9/h2-3,6,9H,4-5H2,1H3/b3-2-,7-6+
InChIKeyMXWGLAVIFLUCCX-BRXUXDTNSA-N
MW238.07 g/mol
LogP2.26
Rot. Bonds3

About (2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol

(2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol (PubChem CID 102203445) has the molecular formula C7H11IO and a molecular weight of 238.07 g/mol. Its IUPAC name is (2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol.

Molecular Properties

Compound Name(2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol
PubChem CID102203445
Molecular FormulaC7H11IO
Molecular Weight238.07 g/mol
Exact Mass237.99
IUPAC Name(2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol
SMILESC/C(=C\I)C/C=C\CO
InChIInChI=1S/C7H11IO/c1-7(6-8)4-2-3-5-9/h2-3,6,9H,4-5H2,1H3/b3-2-,7-6+
InChIKeyMXWGLAVIFLUCCX-BRXUXDTNSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxyhept-5-en-3-one
CID 90766087
(2E,5E)-5-methyl-6-trimethylsilylhepta-2,5-dien-1-ol
CID 102291829
CID 175978360
CID 175978360
(2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol
CID 102272672
CID 177476309
CID 177476309
methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate
CID 118240850
1-iodo-2-methylpent-1-ene
CID 73232688
but-2-ene-1,4-diol;propanoic acid
CID 71351033
oct-4-ene-2,7-dione
CID 57029717
2-methylocta-2,6-diene-1,8-diol
CID 57284516
acetic acid;(Z)-hex-2-en-1-ol
CID 170839903
(E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol
CID 11851117

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol?
The IUPAC name of (2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol (CID 102203445) is (2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol.
What is the SMILES notation for (2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol?
The canonical SMILES for (2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol is C/C(=C\I)C/C=C\CO.
What is the InChIKey of (2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol?
The InChIKey is MXWGLAVIFLUCCX-BRXUXDTNSA-N. The full InChI is InChI=1S/C7H11IO/c1-7(6-8)4-2-3-5-9/h2-3,6,9H,4-5H2,1H3/b3-2-,7-6+.
What are the key properties of (2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol?
(2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol has a molecular weight of 238.07 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol is sourced from PubChem (CID 102203445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).