3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane

C15H26O3 — CID 86682661

IUPAC3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane
SMILESCOCC1(C2CCCCC2)COC12CCCCO2
InChIInChI=1S/C15H26O3/c1-16-11-14(13-7-3-2-4-8-13)12-18-15(14)9-5-6-10-17-15/h13H,2-12H2,1H3
InChIKeyATVNPHHRTWGPBD-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.13
Rot. Bonds3

About 3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane

3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane (PubChem CID 86682661) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane.

Molecular Properties

Compound Name3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane
PubChem CID86682661
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane
SMILESCOCC1(C2CCCCC2)COC12CCCCO2
InChIInChI=1S/C15H26O3/c1-16-11-14(13-7-3-2-4-8-13)12-18-15(14)9-5-6-10-17-15/h13H,2-12H2,1H3
InChIKeyATVNPHHRTWGPBD-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane?
The IUPAC name of 3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane (CID 86682661) is 3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane.
What is the SMILES notation for 3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane?
The canonical SMILES for 3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane is COCC1(C2CCCCC2)COC12CCCCO2.
What is the InChIKey of 3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane?
The InChIKey is ATVNPHHRTWGPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-16-11-14(13-7-3-2-4-8-13)12-18-15(14)9-5-6-10-17-15/h13H,2-12H2,1H3.
What are the key properties of 3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane?
3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane has a molecular weight of 254.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(methoxymethyl)-1,9-dioxaspiro[3.5]nonane is sourced from PubChem (CID 86682661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).