cyclooctatetraenol

C8H8O — CID 12613339

IUPACcyclooctatetraenol
SMILESOC1=C/C=C\C=C/C=C\1
InChIInChI=1S/C8H8O/c9-8-6-4-2-1-3-5-7-8/h1-7,9H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6+,8-7+
InChIKeyLBBQDFVNEWDCLD-NPLFUSBWSA-N
MW120.15 g/mol
LogP2.11
Rot. Bonds

About cyclooctatetraenol

cyclooctatetraenol (PubChem CID 12613339) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is cyclooctatetraenol.

Molecular Properties

Compound Namecyclooctatetraenol
PubChem CID12613339
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Namecyclooctatetraenol
SMILESOC1=C/C=C\C=C/C=C\1
InChIInChI=1S/C8H8O/c9-8-6-4-2-1-3-5-7-8/h1-7,9H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6+,8-7+
InChIKeyLBBQDFVNEWDCLD-NPLFUSBWSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclooctatetraenol?
The IUPAC name of cyclooctatetraenol (CID 12613339) is cyclooctatetraenol.
What is the SMILES notation for cyclooctatetraenol?
The canonical SMILES for cyclooctatetraenol is OC1=C/C=C\C=C/C=C\1.
What is the InChIKey of cyclooctatetraenol?
The InChIKey is LBBQDFVNEWDCLD-NPLFUSBWSA-N. The full InChI is InChI=1S/C8H8O/c9-8-6-4-2-1-3-5-7-8/h1-7,9H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6+,8-7+.
What are the key properties of cyclooctatetraenol?
cyclooctatetraenol has a molecular weight of 120.15 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctatetraenol is sourced from PubChem (CID 12613339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).