(2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol

C6H11IO2 — CID 87703859

IUPAC(2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol
SMILESCC(C)(O)/C(=C\I)CO
InChIInChI=1S/C6H11IO2/c1-6(2,9)5(3-7)4-8/h3,8-9H,4H2,1-2H3/b5-3-
InChIKeyISWDOXVDQXIGJE-HYXAFXHYSA-N
MW242.06 g/mol
LogP1.07
Rot. Bonds2

About (2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol

(2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol (PubChem CID 87703859) has the molecular formula C6H11IO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is (2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol.

Molecular Properties

Compound Name(2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol
PubChem CID87703859
Molecular FormulaC6H11IO2
Molecular Weight242.06 g/mol
Exact Mass241.98
IUPAC Name(2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol
SMILESCC(C)(O)/C(=C\I)CO
InChIInChI=1S/C6H11IO2/c1-6(2,9)5(3-7)4-8/h3,8-9H,4H2,1-2H3/b5-3-
InChIKeyISWDOXVDQXIGJE-HYXAFXHYSA-N
XLogP1.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol?
The IUPAC name of (2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol (CID 87703859) is (2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol.
What is the SMILES notation for (2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol?
The canonical SMILES for (2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol is CC(C)(O)/C(=C\I)CO.
What is the InChIKey of (2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol?
The InChIKey is ISWDOXVDQXIGJE-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H11IO2/c1-6(2,9)5(3-7)4-8/h3,8-9H,4H2,1-2H3/b5-3-.
What are the key properties of (2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol?
(2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol has a molecular weight of 242.06 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(iodomethylidene)-3-methylbutane-1,3-diol is sourced from PubChem (CID 87703859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).