[3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate

C17H28O8 — CID 24885943

IUPAC[3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate
SMILESCCC(=O)OCC1(C)OCC2(CO1)COC(C)(COC(=O)CC)OC2
InChIInChI=1S/C17H28O8/c1-5-13(18)20-7-15(3)22-9-17(10-23-15)11-24-16(4,25-12-17)8-21-14(19)6-2/h5-12H2,1-4H3
InChIKeyZSUOJZYEEGZBFH-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.41
Rot. Bonds6

About [3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate

[3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate (PubChem CID 24885943) has the molecular formula C17H28O8 and a molecular weight of 360.40 g/mol. Its IUPAC name is [3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate.

Molecular Properties

Compound Name[3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate
PubChem CID24885943
Molecular FormulaC17H28O8
Molecular Weight360.40 g/mol
Exact Mass360.18
IUPAC Name[3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate
SMILESCCC(=O)OCC1(C)OCC2(CO1)COC(C)(COC(=O)CC)OC2
InChIInChI=1S/C17H28O8/c1-5-13(18)20-7-15(3)22-9-17(10-23-15)11-24-16(4,25-12-17)8-21-14(19)6-2/h5-12H2,1-4H3
InChIKeyZSUOJZYEEGZBFH-UHFFFAOYSA-N
XLogP1.41
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate 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 [3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate?
The IUPAC name of [3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate (CID 24885943) is [3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate.
What is the SMILES notation for [3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate?
The canonical SMILES for [3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate is CCC(=O)OCC1(C)OCC2(CO1)COC(C)(COC(=O)CC)OC2.
What is the InChIKey of [3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate?
The InChIKey is ZSUOJZYEEGZBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O8/c1-5-13(18)20-7-15(3)22-9-17(10-23-15)11-24-16(4,25-12-17)8-21-14(19)6-2/h5-12H2,1-4H3.
What are the key properties of [3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate?
[3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate has a molecular weight of 360.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate is sourced from PubChem (CID 24885943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).