8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione

C24H34O6 — CID 54217029

IUPAC8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione
SMILESO=C1CC2(C(=O)OC3(CCCC3)OC3(CCCC3)O1)C1(CCCC1)OC21CCCC1
InChIInChI=1S/C24H34O6/c25-18-17-24(20(9-1-2-10-20)29-21(24)11-3-4-12-21)19(26)28-23(15-7-8-16-23)30-22(27-18)13-5-6-14-22/h1-17H2
InChIKeyPZXLMLZOXGSCCW-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.68
Rot. Bonds

About 8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione

8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione (PubChem CID 54217029) has the molecular formula C24H34O6 and a molecular weight of 418.53 g/mol. Its IUPAC name is 8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione.

Molecular Properties

Compound Name8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione
PubChem CID54217029
Molecular FormulaC24H34O6
Molecular Weight418.53 g/mol
Exact Mass418.24
IUPAC Name8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione
SMILESO=C1CC2(C(=O)OC3(CCCC3)OC3(CCCC3)O1)C1(CCCC1)OC21CCCC1
InChIInChI=1S/C24H34O6/c25-18-17-24(20(9-1-2-10-20)29-21(24)11-3-4-12-21)19(26)28-23(15-7-8-16-23)30-22(27-18)13-5-6-14-22/h1-17H2
InChIKeyPZXLMLZOXGSCCW-UHFFFAOYSA-N
XLogP4.68
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione?
The IUPAC name of 8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione (CID 54217029) is 8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione.
What is the SMILES notation for 8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione?
The canonical SMILES for 8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione is O=C1CC2(C(=O)OC3(CCCC3)OC3(CCCC3)O1)C1(CCCC1)OC21CCCC1.
What is the InChIKey of 8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione?
The InChIKey is PZXLMLZOXGSCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O6/c25-18-17-24(20(9-1-2-10-20)29-21(24)11-3-4-12-21)19(26)28-23(15-7-8-16-23)30-22(27-18)13-5-6-14-22/h1-17H2.
What are the key properties of 8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione?
8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione has a molecular weight of 418.53 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione is sourced from PubChem (CID 54217029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).