2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol

C13H18N2O3 — CID 79921278

IUPAC2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol
SMILESOC(c1ncccn1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H18N2O3/c16-11(12-14-4-1-5-15-12)10-2-6-18-13(8-10)3-7-17-9-13/h1,4-5,10-11,16H,2-3,6-9H2
InChIKeyRMVVBOSIEHPRHC-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.10
Rot. Bonds2

About 2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol

2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol (PubChem CID 79921278) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol
PubChem CID79921278
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol
SMILESOC(c1ncccn1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H18N2O3/c16-11(12-14-4-1-5-15-12)10-2-6-18-13(8-10)3-7-17-9-13/h1,4-5,10-11,16H,2-3,6-9H2
InChIKeyRMVVBOSIEHPRHC-UHFFFAOYSA-N
XLogP1.10
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol (CID 79921278) is 2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol is OC(c1ncccn1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol?
The InChIKey is RMVVBOSIEHPRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-11(12-14-4-1-5-15-12)10-2-6-18-13(8-10)3-7-17-9-13/h1,4-5,10-11,16H,2-3,6-9H2.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol?
2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol has a molecular weight of 250.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl(pyrimidin-2-yl)methanol is sourced from PubChem (CID 79921278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).