5-methylcyclooct-5-ene-1,2-diol

C9H16O2 — CID 68741308

IUPAC5-methylcyclooct-5-ene-1,2-diol
SMILESCC1=CCCC(O)C(O)CC1
InChIInChI=1S/C9H16O2/c1-7-3-2-4-8(10)9(11)6-5-7/h3,8-11H,2,4-6H2,1H3
InChIKeyGKAUOWMWMGTZMT-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.23
Rot. Bonds

About 5-methylcyclooct-5-ene-1,2-diol

5-methylcyclooct-5-ene-1,2-diol (PubChem CID 68741308) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 5-methylcyclooct-5-ene-1,2-diol.

Molecular Properties

Compound Name5-methylcyclooct-5-ene-1,2-diol
PubChem CID68741308
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name5-methylcyclooct-5-ene-1,2-diol
SMILESCC1=CCCC(O)C(O)CC1
InChIInChI=1S/C9H16O2/c1-7-3-2-4-8(10)9(11)6-5-7/h3,8-11H,2,4-6H2,1H3
InChIKeyGKAUOWMWMGTZMT-UHFFFAOYSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.23
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 5-methylcyclooct-5-ene-1,2-diol?
The IUPAC name of 5-methylcyclooct-5-ene-1,2-diol (CID 68741308) is 5-methylcyclooct-5-ene-1,2-diol.
What is the SMILES notation for 5-methylcyclooct-5-ene-1,2-diol?
The canonical SMILES for 5-methylcyclooct-5-ene-1,2-diol is CC1=CCCC(O)C(O)CC1.
What is the InChIKey of 5-methylcyclooct-5-ene-1,2-diol?
The InChIKey is GKAUOWMWMGTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-3-2-4-8(10)9(11)6-5-7/h3,8-11H,2,4-6H2,1H3.
What are the key properties of 5-methylcyclooct-5-ene-1,2-diol?
5-methylcyclooct-5-ene-1,2-diol has a molecular weight of 156.23 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclooct-5-ene-1,2-diol is sourced from PubChem (CID 68741308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).