[8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol

C20H36O6 — CID 139424095

IUPAC[8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
SMILESCCC1CC2(OCC(C)(CO)CO2)C(CC)CC12OCC(C)(CO)CO2
InChIInChI=1S/C20H36O6/c1-5-15-7-20(25-13-18(4,10-22)14-26-20)16(6-2)8-19(15)23-11-17(3,9-21)12-24-19/h15-16,21-22H,5-14H2,1-4H3
InChIKeyIHQBWIMHRFOVHO-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.32
Rot. Bonds4

About [8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol

[8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol (PubChem CID 139424095) has the molecular formula C20H36O6 and a molecular weight of 372.50 g/mol. Its IUPAC name is [8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol.

Molecular Properties

Compound Name[8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
PubChem CID139424095
Molecular FormulaC20H36O6
Molecular Weight372.50 g/mol
Exact Mass372.25
IUPAC Name[8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
SMILESCCC1CC2(OCC(C)(CO)CO2)C(CC)CC12OCC(C)(CO)CO2
InChIInChI=1S/C20H36O6/c1-5-15-7-20(25-13-18(4,10-22)14-26-20)16(6-2)8-19(15)23-11-17(3,9-21)12-24-19/h15-16,21-22H,5-14H2,1-4H3
InChIKeyIHQBWIMHRFOVHO-UHFFFAOYSA-N
XLogP2.32
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol
CID 155327910
[3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
CID 139424065
(2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol
CID 54203877
(2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol
CID 123875514
[(2R,3S)-3-(dibenzylamino)-2-ethyl-8-methyl-1,6,10-trioxaspiro[4.5]decan-8-yl]methanol
CID 11729303
[2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol
CID 177083692
(3-methyloxetan-3-yl)methanol;oxetan-2-ol
CID 89400317
(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327
2-propyl-4,7-dioxaspiro[2.4]heptane
CID 134922933
1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone
CID 89117681
[7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol
CID 139437917
(2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane
CID 101015711

Frequently Asked Questions

What is the IUPAC name of [8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol?
The IUPAC name of [8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol (CID 139424095) is [8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol.
What is the SMILES notation for [8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol?
The canonical SMILES for [8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol is CCC1CC2(OCC(C)(CO)CO2)C(CC)CC12OCC(C)(CO)CO2.
What is the InChIKey of [8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol?
The InChIKey is IHQBWIMHRFOVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O6/c1-5-15-7-20(25-13-18(4,10-22)14-26-20)16(6-2)8-19(15)23-11-17(3,9-21)12-24-19/h15-16,21-22H,5-14H2,1-4H3.
What are the key properties of [8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol?
[8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol has a molecular weight of 372.50 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol is sourced from PubChem (CID 139424095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).