3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane

C23H42O3 — CID 86682639

IUPAC3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane
SMILESCOCC1(C2CCCCC2)COC2(CCCCCCCCCCC2)OC1
InChIInChI=1S/C23H42O3/c1-24-18-22(21-14-10-9-11-15-21)19-25-23(26-20-22)16-12-7-5-3-2-4-6-8-13-17-23/h21H,2-20H2,1H3
InChIKeyXGANAKDTLLUUMD-UHFFFAOYSA-N
MW366.59 g/mol
LogP6.25
Rot. Bonds3

About 3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane

3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane (PubChem CID 86682639) has the molecular formula C23H42O3 and a molecular weight of 366.59 g/mol. Its IUPAC name is 3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane.

Molecular Properties

Compound Name3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane
PubChem CID86682639
Molecular FormulaC23H42O3
Molecular Weight366.59 g/mol
Exact Mass366.31
IUPAC Name3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane
SMILESCOCC1(C2CCCCC2)COC2(CCCCCCCCCCC2)OC1
InChIInChI=1S/C23H42O3/c1-24-18-22(21-14-10-9-11-15-21)19-25-23(26-20-22)16-12-7-5-3-2-4-6-8-13-17-23/h21H,2-20H2,1H3
InChIKeyXGANAKDTLLUUMD-UHFFFAOYSA-N
XLogP6.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.25
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)-1,5-dioxaspiro[5.11]heptadecane?
The IUPAC name of 3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane (CID 86682639) is 3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane.
What is the SMILES notation for 3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane?
The canonical SMILES for 3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane is COCC1(C2CCCCC2)COC2(CCCCCCCCCCC2)OC1.
What is the InChIKey of 3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane?
The InChIKey is XGANAKDTLLUUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O3/c1-24-18-22(21-14-10-9-11-15-21)19-25-23(26-20-22)16-12-7-5-3-2-4-6-8-13-17-23/h21H,2-20H2,1H3.
What are the key properties of 3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane?
3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane has a molecular weight of 366.59 g/mol, XLogP of 6.25, 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)-1,5-dioxaspiro[5.11]heptadecane is sourced from PubChem (CID 86682639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).