1-cyclooctylethane-1,1-diol

C10H20O2 — CID 22410754

IUPAC1-cyclooctylethane-1,1-diol
SMILESCC(O)(O)C1CCCCCCC1
InChIInChI=1S/C10H20O2/c1-10(11,12)9-7-5-3-2-4-6-8-9/h9,11-12H,2-8H2,1H3
InChIKeyYDHYLZDXIZFWCL-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.05
Rot. Bonds1

About 1-cyclooctylethane-1,1-diol

1-cyclooctylethane-1,1-diol (PubChem CID 22410754) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-cyclooctylethane-1,1-diol.

Molecular Properties

Compound Name1-cyclooctylethane-1,1-diol
PubChem CID22410754
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-cyclooctylethane-1,1-diol
SMILESCC(O)(O)C1CCCCCCC1
InChIInChI=1S/C10H20O2/c1-10(11,12)9-7-5-3-2-4-6-8-9/h9,11-12H,2-8H2,1H3
InChIKeyYDHYLZDXIZFWCL-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctylethane-1,1-diol?
The IUPAC name of 1-cyclooctylethane-1,1-diol (CID 22410754) is 1-cyclooctylethane-1,1-diol.
What is the SMILES notation for 1-cyclooctylethane-1,1-diol?
The canonical SMILES for 1-cyclooctylethane-1,1-diol is CC(O)(O)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctylethane-1,1-diol?
The InChIKey is YDHYLZDXIZFWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(11,12)9-7-5-3-2-4-6-8-9/h9,11-12H,2-8H2,1H3.
What are the key properties of 1-cyclooctylethane-1,1-diol?
1-cyclooctylethane-1,1-diol has a molecular weight of 172.27 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctylethane-1,1-diol is sourced from PubChem (CID 22410754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).