methyl 8-hydroxyspiro[2.5]octane-2-carboxylate

C10H16O3 — CID 105441117

IUPACmethyl 8-hydroxyspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1CC12CCCCC2O
InChIInChI=1S/C10H16O3/c1-13-9(12)7-6-10(7)5-3-2-4-8(10)11/h7-8,11H,2-6H2,1H3
InChIKeyHJTQAUYDXDVFRL-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.10
Rot. Bonds1

About methyl 8-hydroxyspiro[2.5]octane-2-carboxylate

methyl 8-hydroxyspiro[2.5]octane-2-carboxylate (PubChem CID 105441117) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 8-hydroxyspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-hydroxyspiro[2.5]octane-2-carboxylate
PubChem CID105441117
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 8-hydroxyspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1CC12CCCCC2O
InChIInChI=1S/C10H16O3/c1-13-9(12)7-6-10(7)5-3-2-4-8(10)11/h7-8,11H,2-6H2,1H3
InChIKeyHJTQAUYDXDVFRL-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxyspiro[2.4]heptane-2-carboxylic acid
CID 105430467
(5R,11S)-spiro[5.5]undecane-5,11-diol
CID 10997722
2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid
CID 82598117
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378
(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
trans-methyl (1R,2R)-2-amino-2-methylcyclohexane-1-carboxylate
CID 96839903
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251
trans-methyl (1S,2R)-2-hydroxy-1-methylcyclohexane-1-carboxylate
CID 126686787
methyl tricyclo[4.2.2.01,6]decane-7-carboxylate
CID 12702214
methyl 2-[(1R,2R)-1,2-dihydroxycyclohexyl]acetate
CID 11600811
dimethyl 1-(chloromethyl)cyclohexane-1,2-dicarboxylate
CID 13029056

Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxyspiro[2.5]octane-2-carboxylate?
The IUPAC name of methyl 8-hydroxyspiro[2.5]octane-2-carboxylate (CID 105441117) is methyl 8-hydroxyspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for methyl 8-hydroxyspiro[2.5]octane-2-carboxylate?
The canonical SMILES for methyl 8-hydroxyspiro[2.5]octane-2-carboxylate is COC(=O)C1CC12CCCCC2O.
What is the InChIKey of methyl 8-hydroxyspiro[2.5]octane-2-carboxylate?
The InChIKey is HJTQAUYDXDVFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-13-9(12)7-6-10(7)5-3-2-4-8(10)11/h7-8,11H,2-6H2,1H3.
What are the key properties of methyl 8-hydroxyspiro[2.5]octane-2-carboxylate?
methyl 8-hydroxyspiro[2.5]octane-2-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxyspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 105441117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).