2-methoxyspiro[2.5]octan-2-ol

C9H16O2 — CID 13086992

IUPAC2-methoxyspiro[2.5]octan-2-ol
SMILESCOC1(O)CC12CCCCC2
InChIInChI=1S/C9H16O2/c1-11-9(10)7-8(9)5-3-2-4-6-8/h10H,2-7H2,1H3
InChIKeyVNKPJTQGRDNEJJ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.68
Rot. Bonds1

About 2-methoxyspiro[2.5]octan-2-ol

2-methoxyspiro[2.5]octan-2-ol (PubChem CID 13086992) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methoxyspiro[2.5]octan-2-ol.

Molecular Properties

Compound Name2-methoxyspiro[2.5]octan-2-ol
PubChem CID13086992
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methoxyspiro[2.5]octan-2-ol
SMILESCOC1(O)CC12CCCCC2
InChIInChI=1S/C9H16O2/c1-11-9(10)7-8(9)5-3-2-4-6-8/h10H,2-7H2,1H3
InChIKeyVNKPJTQGRDNEJJ-UHFFFAOYSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxyspiro[2.5]octan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-Methoxy-1-methylspiro[2.5]octan-2-ol
CID 13086994
1-Cyclohexyl-1-methoxyethanol
CID 54200630
1-Cyclohexyl-1-methoxy-2-methylpropan-1-ol
CID 67351854
Spiro[2.10]tridecane-13,13-diol
CID 67652572
2-Methoxy-3,3-dimethyloctan-2-ol
CID 87319821
2-Methylspiro[2.5]octane-8,8-diol
CID 91171330
1-Methoxy-2-pentylcyclohexan-1-ol
CID 141408189
2,2-Diethylcyclohexane-1,1-diol
CID 151551074
1-Methoxy-4,4-dimethylcyclohexan-1-ol
CID 153882952
4,4-Dipropylcyclohexane-1,1-diol
CID 154182063
6,6-Dimethoxyspiro[2.5]octane
CID 156888342
2-[[(3R)-3-methyl-1-propylcyclohexyl]methoxy]butan-2-ol
CID 168973971

Frequently Asked Questions

What is the IUPAC name of 2-methoxyspiro[2.5]octan-2-ol?
The IUPAC name of 2-methoxyspiro[2.5]octan-2-ol (CID 13086992) is 2-methoxyspiro[2.5]octan-2-ol.
What is the SMILES notation for 2-methoxyspiro[2.5]octan-2-ol?
The canonical SMILES for 2-methoxyspiro[2.5]octan-2-ol is COC1(O)CC12CCCCC2.
What is the InChIKey of 2-methoxyspiro[2.5]octan-2-ol?
The InChIKey is VNKPJTQGRDNEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-11-9(10)7-8(9)5-3-2-4-6-8/h10H,2-7H2,1H3.
What are the key properties of 2-methoxyspiro[2.5]octan-2-ol?
2-methoxyspiro[2.5]octan-2-ol has a molecular weight of 156.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyspiro[2.5]octan-2-ol is sourced from PubChem (CID 13086992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).