3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane

C18H30O5 — CID 19030177

IUPAC3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane
SMILESC1CCC2(CC1)OCC(COCC1COC3(CCCCC3)O1)O2
InChIInChI=1S/C18H30O5/c1-3-7-17(8-4-1)20-13-15(22-17)11-19-12-16-14-21-18(23-16)9-5-2-6-10-18/h15-16H,1-14H2
InChIKeyYGVCCFHXEIHOJE-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.15
Rot. Bonds4

About 3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane

3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 19030177) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane
PubChem CID19030177
Molecular FormulaC18H30O5
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane
SMILESC1CCC2(CC1)OCC(COCC1COC3(CCCCC3)O1)O2
InChIInChI=1S/C18H30O5/c1-3-7-17(8-4-1)20-13-15(22-17)11-19-12-16-14-21-18(23-16)9-5-2-6-10-18/h15-16H,1-14H2
InChIKeyYGVCCFHXEIHOJE-UHFFFAOYSA-N
XLogP3.15
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane (CID 19030177) is 3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane is C1CCC2(CC1)OCC(COCC1COC3(CCCCC3)O1)O2.
What is the InChIKey of 3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is YGVCCFHXEIHOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O5/c1-3-7-17(8-4-1)20-13-15(22-17)11-19-12-16-14-21-18(23-16)9-5-2-6-10-18/h15-16H,1-14H2.
What are the key properties of 3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane?
3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 326.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 19030177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).