7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane

C19H32O4 — CID 24939149

IUPAC7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane
SMILESC1CCC2(CC1)CCCC1(CCCC3(CCCCC3)OO1)OO2
InChIInChI=1S/C19H32O4/c1-3-9-17(10-4-1)13-7-15-19(22-20-17)16-8-14-18(21-23-19)11-5-2-6-12-18/h1-16H2
InChIKeyPQOWZGXCVGGSBH-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.35
Rot. Bonds

About 7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane

7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane (PubChem CID 24939149) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is 7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane.

Molecular Properties

Compound Name7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane
PubChem CID24939149
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane
SMILESC1CCC2(CC1)CCCC1(CCCC3(CCCCC3)OO1)OO2
InChIInChI=1S/C19H32O4/c1-3-9-17(10-4-1)13-7-15-19(22-20-17)16-8-14-18(21-23-19)11-5-2-6-12-18/h1-16H2
InChIKeyPQOWZGXCVGGSBH-UHFFFAOYSA-N
XLogP5.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane with MolForge

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

Launch Full Analysis

Related Compounds

29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane
CID 101467838
11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione
CID 13127875
N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine
CID 15946638
3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane
CID 10925067
17-methyl-17-[2-(17-methyl-7,8,15,16,18,19-hexaoxa-17-siladispiro[5.2.59.56]nonadecan-17-yl)ethyl]-7,8,15,16,18,19-hexaoxa-17-siladispiro[5.2.59.56]nonadecane
CID 122391662
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol
CID 24828450
19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane
CID 122391663
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine
CID 24828451
19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethynyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane
CID 122391666
1-oxaspiro[2.7]decane
CID 13240757
(2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde
CID 89064448
2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid
CID 56673834

Frequently Asked Questions

What is the IUPAC name of 7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane?
The IUPAC name of 7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane (CID 24939149) is 7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane.
What is the SMILES notation for 7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane?
The canonical SMILES for 7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane is C1CCC2(CC1)CCCC1(CCCC3(CCCCC3)OO1)OO2.
What is the InChIKey of 7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane?
The InChIKey is PQOWZGXCVGGSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-3-9-17(10-4-1)13-7-15-19(22-20-17)16-8-14-18(21-23-19)11-5-2-6-12-18/h1-16H2.
What are the key properties of 7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane?
7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane has a molecular weight of 324.46 g/mol, XLogP of 5.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane is sourced from PubChem (CID 24939149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).