[(2E)-cyclooct-2-en-1-yl]oxymethanol

C9H16O2 — CID 126700730

IUPAC[(2E)-cyclooct-2-en-1-yl]oxymethanol
SMILESOCOC1/C=C\CCCCC1
InChIInChI=1S/C9H16O2/c10-8-11-9-6-4-2-1-3-5-7-9/h4,6,9-10H,1-3,5,7-8H2/b6-4-
InChIKeyYPFDAZMXZOIXBI-XQRVVYSFSA-N
MW156.22 g/mol
LogP1.84
Rot. Bonds2

About [(2E)-cyclooct-2-en-1-yl]oxymethanol

[(2E)-cyclooct-2-en-1-yl]oxymethanol (PubChem CID 126700730) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(2E)-cyclooct-2-en-1-yl]oxymethanol.

Molecular Properties

Compound Name[(2E)-cyclooct-2-en-1-yl]oxymethanol
PubChem CID126700730
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(2E)-cyclooct-2-en-1-yl]oxymethanol
SMILESOCOC1/C=C\CCCCC1
InChIInChI=1S/C9H16O2/c10-8-11-9-6-4-2-1-3-5-7-9/h4,6,9-10H,1-3,5,7-8H2/b6-4-
InChIKeyYPFDAZMXZOIXBI-XQRVVYSFSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2E)-cyclooct-2-en-1-yl]oxymethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2E)-cyclooct-2-en-1-yl]oxymethanol?
The IUPAC name of [(2E)-cyclooct-2-en-1-yl]oxymethanol (CID 126700730) is [(2E)-cyclooct-2-en-1-yl]oxymethanol.
What is the SMILES notation for [(2E)-cyclooct-2-en-1-yl]oxymethanol?
The canonical SMILES for [(2E)-cyclooct-2-en-1-yl]oxymethanol is OCOC1/C=C\CCCCC1.
What is the InChIKey of [(2E)-cyclooct-2-en-1-yl]oxymethanol?
The InChIKey is YPFDAZMXZOIXBI-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H16O2/c10-8-11-9-6-4-2-1-3-5-7-9/h4,6,9-10H,1-3,5,7-8H2/b6-4-.
What are the key properties of [(2E)-cyclooct-2-en-1-yl]oxymethanol?
[(2E)-cyclooct-2-en-1-yl]oxymethanol has a molecular weight of 156.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-cyclooct-2-en-1-yl]oxymethanol is sourced from PubChem (CID 126700730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).