octa-1,7-diene-4,5-diol

C8H14O2 — CID 10942542

IUPACocta-1,7-diene-4,5-diol
SMILESC=CCC(O)C(O)CC=C
InChIInChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-4,7-10H,1-2,5-6H2
InChIKeyWNGQPXSRMCTUJF-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.86
Rot. Bonds5

About octa-1,7-diene-4,5-diol

octa-1,7-diene-4,5-diol (PubChem CID 10942542) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is octa-1,7-diene-4,5-diol.

Molecular Properties

Compound Nameocta-1,7-diene-4,5-diol
PubChem CID10942542
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nameocta-1,7-diene-4,5-diol
SMILESC=CCC(O)C(O)CC=C
InChIInChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-4,7-10H,1-2,5-6H2
InChIKeyWNGQPXSRMCTUJF-UHFFFAOYSA-N
XLogP0.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 octa-1,7-diene-4,5-diol?
The IUPAC name of octa-1,7-diene-4,5-diol (CID 10942542) is octa-1,7-diene-4,5-diol.
What is the SMILES notation for octa-1,7-diene-4,5-diol?
The canonical SMILES for octa-1,7-diene-4,5-diol is C=CCC(O)C(O)CC=C.
What is the InChIKey of octa-1,7-diene-4,5-diol?
The InChIKey is WNGQPXSRMCTUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-4,7-10H,1-2,5-6H2.
What are the key properties of octa-1,7-diene-4,5-diol?
octa-1,7-diene-4,5-diol has a molecular weight of 142.20 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,7-diene-4,5-diol is sourced from PubChem (CID 10942542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).