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

C15H26O2 — CID 79899192

IUPACcyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESOC(C1CCCCC1)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H26O2/c16-14(12-5-2-1-3-6-12)13-7-10-17-15(11-13)8-4-9-15/h12-14,16H,1-11H2
InChIKeyJMDGHKURMCRPBU-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.28
Rot. Bonds2

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

cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol (PubChem CID 79899192) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol.

Molecular Properties

Compound Namecyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
PubChem CID79899192
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namecyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESOC(C1CCCCC1)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H26O2/c16-14(12-5-2-1-3-6-12)13-7-10-17-15(11-13)8-4-9-15/h12-14,16H,1-11H2
InChIKeyJMDGHKURMCRPBU-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol?
The IUPAC name of cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol (CID 79899192) is cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol.
What is the SMILES notation for cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol?
The canonical SMILES for cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol is OC(C1CCCCC1)C1CCOC2(CCC2)C1.
What is the InChIKey of cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol?
The InChIKey is JMDGHKURMCRPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c16-14(12-5-2-1-3-6-12)13-7-10-17-15(11-13)8-4-9-15/h12-14,16H,1-11H2.
What are the key properties of cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol?
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol has a molecular weight of 238.37 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol is sourced from PubChem (CID 79899192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).