(Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol

C7H11IO2 — CID 135010236

IUPAC(Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol
SMILESC=C(CO)C(O)/C(C)=C\I
InChIInChI=1S/C7H11IO2/c1-5(3-8)7(10)6(2)4-9/h3,7,9-10H,2,4H2,1H3/b5-3-
InChIKeyKVJKEAVQAARDGJ-HYXAFXHYSA-N
MW254.07 g/mol
LogP1.23
Rot. Bonds3

About (Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol

(Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol (PubChem CID 135010236) has the molecular formula C7H11IO2 and a molecular weight of 254.07 g/mol. Its IUPAC name is (Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol.

Molecular Properties

Compound Name(Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol
PubChem CID135010236
Molecular FormulaC7H11IO2
Molecular Weight254.07 g/mol
Exact Mass253.98
IUPAC Name(Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol
SMILESC=C(CO)C(O)/C(C)=C\I
InChIInChI=1S/C7H11IO2/c1-5(3-8)7(10)6(2)4-9/h3,7,9-10H,2,4H2,1H3/b5-3-
InChIKeyKVJKEAVQAARDGJ-HYXAFXHYSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2,4-dimethylpent-4-ene-1,3-diol
CID 13129934
4-Methylpent-4-ene-1,3-diol
CID 13327314
2,4-Dimethylidenepentane-1,3,5-triol
CID 102521376
2,4-Dimethylpent-4-ene-1,3-diol
CID 13129933
(E)-1-iodo-2-methylhex-1-en-3-ol
CID 134979173
(3R)-4-methylpent-4-ene-1,3-diol
CID 13327315
(3S)-4-methylpent-4-ene-1,3-diol
CID 13327316
4-Hydroperoxy-3-methylidenepentan-2-ol
CID 15645019
3-Methylidenehexan-2-ol
CID 15935716
3-Methylidenepentane-2,4-diol
CID 19091709
4-Methyl-2-methylidenepentane-1,3-diol
CID 21630609
2-Methylidenepentane-1,3-diol
CID 53831174

Frequently Asked Questions

What is the IUPAC name of (Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol?
The IUPAC name of (Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol (CID 135010236) is (Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol.
What is the SMILES notation for (Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol?
The canonical SMILES for (Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol is C=C(CO)C(O)/C(C)=C\I.
What is the InChIKey of (Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol?
The InChIKey is KVJKEAVQAARDGJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H11IO2/c1-5(3-8)7(10)6(2)4-9/h3,7,9-10H,2,4H2,1H3/b5-3-.
What are the key properties of (Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol?
(Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol has a molecular weight of 254.07 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol is sourced from PubChem (CID 135010236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).