(Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol

C9H10O3 — CID 102130046

IUPAC(Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol
SMILESOCC#C/C=C(/C#CCO)CO
InChIInChI=1S/C9H10O3/c10-6-2-1-4-9(8-12)5-3-7-11/h4,10-12H,6-8H2/b9-4-
InChIKeyZTZRWEIGGIVGNC-WTKPLQERSA-N
MW166.18 g/mol
LogP-1.10
Rot. Bonds1

About (Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol

(Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol (PubChem CID 102130046) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol.

Molecular Properties

Compound Name(Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol
PubChem CID102130046
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol
SMILESOCC#C/C=C(/C#CCO)CO
InChIInChI=1S/C9H10O3/c10-6-2-1-4-9(8-12)5-3-7-11/h4,10-12H,6-8H2/b9-4-
InChIKeyZTZRWEIGGIVGNC-WTKPLQERSA-N
XLogP-1.10
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol?
The IUPAC name of (Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol (CID 102130046) is (Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol.
What is the SMILES notation for (Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol?
The canonical SMILES for (Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol is OCC#C/C=C(/C#CCO)CO.
What is the InChIKey of (Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol?
The InChIKey is ZTZRWEIGGIVGNC-WTKPLQERSA-N. The full InChI is InChI=1S/C9H10O3/c10-6-2-1-4-9(8-12)5-3-7-11/h4,10-12H,6-8H2/b9-4-.
What are the key properties of (Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol?
(Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol has a molecular weight of 166.18 g/mol, XLogP of -1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol is sourced from PubChem (CID 102130046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).