(2E,4S,5R,6E)-octa-2,6-diene-4,5-diol

C8H14O2 — CID 15562512

IUPAC(2E,4S,5R,6E)-octa-2,6-diene-4,5-diol
SMILESC/C=C/[C@@H](O)[C@@H](O)/C=C/C
InChIInChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-10H,1-2H3/b5-3+,6-4+/t7-,8+
InChIKeyOIBIEVMGTDETCN-ADZYQTKWSA-N
MW142.20 g/mol
LogP0.86
Rot. Bonds3

About (2E,4S,5R,6E)-octa-2,6-diene-4,5-diol

(2E,4S,5R,6E)-octa-2,6-diene-4,5-diol (PubChem CID 15562512) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2E,4S,5R,6E)-octa-2,6-diene-4,5-diol.

Molecular Properties

Compound Name(2E,4S,5R,6E)-octa-2,6-diene-4,5-diol
PubChem CID15562512
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2E,4S,5R,6E)-octa-2,6-diene-4,5-diol
SMILESC/C=C/[C@@H](O)[C@@H](O)/C=C/C
InChIInChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-10H,1-2H3/b5-3+,6-4+/t7-,8+
InChIKeyOIBIEVMGTDETCN-ADZYQTKWSA-N
XLogP0.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4S,5R,6E)-octa-2,6-diene-4,5-diol?
The IUPAC name of (2E,4S,5R,6E)-octa-2,6-diene-4,5-diol (CID 15562512) is (2E,4S,5R,6E)-octa-2,6-diene-4,5-diol.
What is the SMILES notation for (2E,4S,5R,6E)-octa-2,6-diene-4,5-diol?
The canonical SMILES for (2E,4S,5R,6E)-octa-2,6-diene-4,5-diol is C/C=C/[C@@H](O)[C@@H](O)/C=C/C.
What is the InChIKey of (2E,4S,5R,6E)-octa-2,6-diene-4,5-diol?
The InChIKey is OIBIEVMGTDETCN-ADZYQTKWSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-10H,1-2H3/b5-3+,6-4+/t7-,8+.
What are the key properties of (2E,4S,5R,6E)-octa-2,6-diene-4,5-diol?
(2E,4S,5R,6E)-octa-2,6-diene-4,5-diol has a molecular weight of 142.20 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,5R,6E)-octa-2,6-diene-4,5-diol is sourced from PubChem (CID 15562512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).