2-methoxy-1-methylspiro[2.5]octan-2-ol

C10H18O2 — CID 13086994

IUPAC2-methoxy-1-methylspiro[2.5]octan-2-ol
SMILESCOC1(O)C(C)C12CCCCC2
InChIInChI=1S/C10H18O2/c1-8-9(10(8,11)12-2)6-4-3-5-7-9/h8,11H,3-7H2,1-2H3
InChIKeyQDJHREDTRPLEEQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.92
Rot. Bonds1

About 2-methoxy-1-methylspiro[2.5]octan-2-ol

2-methoxy-1-methylspiro[2.5]octan-2-ol (PubChem CID 13086994) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methoxy-1-methylspiro[2.5]octan-2-ol.

Molecular Properties

Compound Name2-methoxy-1-methylspiro[2.5]octan-2-ol
PubChem CID13086994
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methoxy-1-methylspiro[2.5]octan-2-ol
SMILESCOC1(O)C(C)C12CCCCC2
InChIInChI=1S/C10H18O2/c1-8-9(10(8,11)12-2)6-4-3-5-7-9/h8,11H,3-7H2,1-2H3
InChIKeyQDJHREDTRPLEEQ-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxyspiro[2.5]octan-1-ol
CID 13086992
trans-(2S,3S)-2,3-ditert-butyl-1-methoxycyclopropan-1-ol
CID 162399740
1-Cyclohexyl-1-methoxyethanol
CID 54200630
3-Spiro[2.5]octan-2-ylpropane-1,1,1-triol
CID 54562283
1-Cyclohexyl-1-methoxy-2-methylpropan-1-ol
CID 67351854
(1-Methylspiro[2.5]octan-2-yl) hydrogen carbonate
CID 69133125
2-Methoxy-3,3-dimethyloctan-2-ol
CID 87319821
2-Methylspiro[2.5]octane-8,8-diol
CID 91171330
(1R)-1-(1,2,3-13C3)prop-1-ynylspiro[2.5]octane-2,2-diol
CID 91599212
2-Tert-butylcyclohexane-1,1-diol
CID 129697825
3-Butyl-2-tert-butylcyclopropane-1,1-diol
CID 141086878
1-Methoxy-2-pentylcyclohexan-1-ol
CID 141408189

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methylspiro[2.5]octan-2-ol?
The IUPAC name of 2-methoxy-1-methylspiro[2.5]octan-2-ol (CID 13086994) is 2-methoxy-1-methylspiro[2.5]octan-2-ol.
What is the SMILES notation for 2-methoxy-1-methylspiro[2.5]octan-2-ol?
The canonical SMILES for 2-methoxy-1-methylspiro[2.5]octan-2-ol is COC1(O)C(C)C12CCCCC2.
What is the InChIKey of 2-methoxy-1-methylspiro[2.5]octan-2-ol?
The InChIKey is QDJHREDTRPLEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-9(10(8,11)12-2)6-4-3-5-7-9/h8,11H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-1-methylspiro[2.5]octan-2-ol?
2-methoxy-1-methylspiro[2.5]octan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methylspiro[2.5]octan-2-ol is sourced from PubChem (CID 13086994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).