methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate

C13H22O4 — CID 79912845

IUPACmethyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate
SMILESCOC(=O)C(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H22O4/c1-16-12(15)11(14)10-5-8-17-13(9-10)6-3-2-4-7-13/h10-11,14H,2-9H2,1H3
InChIKeyJXHRKJZVZWUHNK-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.65
Rot. Bonds2

About methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate

methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate (PubChem CID 79912845) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate
PubChem CID79912845
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Namemethyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate
SMILESCOC(=O)C(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H22O4/c1-16-12(15)11(14)10-5-8-17-13(9-10)6-3-2-4-7-13/h10-11,14H,2-9H2,1H3
InChIKeyJXHRKJZVZWUHNK-UHFFFAOYSA-N
XLogP1.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate
CID 79913062
3-methoxy-2-(6-oxaspiro[4.5]decan-9-yl)-3-oxopropanoic acid
CID 113360322
dimethyl 2-(1,9-dioxaspiro[5.5]undecan-4-yl)propanedioate
CID 103972495
2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
2-amino-2-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 79906414
3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79893658
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755
(1-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106830968
(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 116764461

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate (CID 79912845) is methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate is COC(=O)C(O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate?
The InChIKey is JXHRKJZVZWUHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-16-12(15)11(14)10-5-8-17-13(9-10)6-3-2-4-7-13/h10-11,14H,2-9H2,1H3.
What are the key properties of methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate?
methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate has a molecular weight of 242.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate is sourced from PubChem (CID 79912845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).