8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane

C14H26O4 — CID 90461642

IUPAC8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane
SMILESCCOCC1(COCC)CCC2(CC1)OCCO2
InChIInChI=1S/C14H26O4/c1-3-15-11-13(12-16-4-2)5-7-14(8-6-13)17-9-10-18-14/h3-12H2,1-2H3
InChIKeyYPEGTHVFLKTGMW-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.36
Rot. Bonds6

About 8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane

8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 90461642) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane
PubChem CID90461642
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane
SMILESCCOCC1(COCC)CCC2(CC1)OCCO2
InChIInChI=1S/C14H26O4/c1-3-15-11-13(12-16-4-2)5-7-14(8-6-13)17-9-10-18-14/h3-12H2,1-2H3
InChIKeyYPEGTHVFLKTGMW-UHFFFAOYSA-N
XLogP2.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8,8-bis(ethoxymethyl)-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 8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane (CID 90461642) is 8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane is CCOCC1(COCC)CCC2(CC1)OCCO2.
What is the InChIKey of 8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is YPEGTHVFLKTGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-3-15-11-13(12-16-4-2)5-7-14(8-6-13)17-9-10-18-14/h3-12H2,1-2H3.
What are the key properties of 8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane?
8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 258.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 90461642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).