(3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol

C7H11IO — CID 134898136

IUPAC(3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol
SMILESC/C(=C\C=C/I)C(C)O
InChIInChI=1S/C7H11IO/c1-6(7(2)9)4-3-5-8/h3-5,7,9H,1-2H3/b5-3-,6-4+
InChIKeyXCFJUCBOJMXPBE-CIIODKQPSA-N
MW238.07 g/mol
LogP2.26
Rot. Bonds2

About (3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol

(3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol (PubChem CID 134898136) has the molecular formula C7H11IO and a molecular weight of 238.07 g/mol. Its IUPAC name is (3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol
PubChem CID134898136
Molecular FormulaC7H11IO
Molecular Weight238.07 g/mol
Exact Mass237.99
IUPAC Name(3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol
SMILESC/C(=C\C=C/I)C(C)O
InChIInChI=1S/C7H11IO/c1-6(7(2)9)4-3-5-8/h3-5,7,9H,1-2H3/b5-3-,6-4+
InChIKeyXCFJUCBOJMXPBE-CIIODKQPSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-methylpent-3-en-2-ol
CID 6372307
trans-Ocimenol
CID 6430998
3-Methyl-3-hexen-2-ol
CID 5363574
3,5-Hexadien-2-ol
CID 5363296
3-Methylpent-3-en-2-ol
CID 301567
(2E,4E)-4-methylhexa-2,4-dien-1-ol
CID 14432848
(1R)-4-methylcyclohexa-2,4-dien-1-ol
CID 118873769
(2Z)-3-iodo-4-methylpenta-2,4-dien-1-ol
CID 14976961
(Z)-3-methylpent-3-en-2-ol
CID 5875595
3,5-Heptadien-2-ol
CID 11147686
4-Methylcyclohexa-2,4-dien-1-ol
CID 14809573
3-Methylcyclohexa-2,4-dien-1-ol
CID 23403167

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol?
The IUPAC name of (3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol (CID 134898136) is (3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol.
What is the SMILES notation for (3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol?
The canonical SMILES for (3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol is C/C(=C\C=C/I)C(C)O.
What is the InChIKey of (3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol?
The InChIKey is XCFJUCBOJMXPBE-CIIODKQPSA-N. The full InChI is InChI=1S/C7H11IO/c1-6(7(2)9)4-3-5-8/h3-5,7,9H,1-2H3/b5-3-,6-4+.
What are the key properties of (3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol?
(3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol has a molecular weight of 238.07 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol is sourced from PubChem (CID 134898136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).