5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol

C13H22O3 — CID 79913378

IUPAC5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol
SMILESOC(C1CCOC1)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H22O3/c14-12(11-2-6-15-9-11)10-3-7-16-13(8-10)4-1-5-13/h10-12,14H,1-9H2
InChIKeyHQZQPLPICJPJMI-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.73
Rot. Bonds2

About 5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol

5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol (PubChem CID 79913378) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol.

Molecular Properties

Compound Name5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol
PubChem CID79913378
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol
SMILESOC(C1CCOC1)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H22O3/c14-12(11-2-6-15-9-11)10-3-7-16-13(8-10)4-1-5-13/h10-12,14H,1-9H2
InChIKeyHQZQPLPICJPJMI-UHFFFAOYSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146
(2-methyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115819651
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
CID 103459246
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
6-oxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanol
CID 79922211
2-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 115819806
(3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113299386
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715

Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol?
The IUPAC name of 5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol (CID 79913378) is 5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol.
What is the SMILES notation for 5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol?
The canonical SMILES for 5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol is OC(C1CCOC1)C1CCOC2(CCC2)C1.
What is the InChIKey of 5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol?
The InChIKey is HQZQPLPICJPJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c14-12(11-2-6-15-9-11)10-3-7-16-13(8-10)4-1-5-13/h10-12,14H,1-9H2.
What are the key properties of 5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol?
5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol has a molecular weight of 226.32 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol is sourced from PubChem (CID 79913378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).