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

C20H36O6 — CID 139424065

IUPAC[3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
SMILESCCC1(CO)COC2(CC(C)C3(CC2C)OCC(CC)(CO)CO3)OC1
InChIInChI=1S/C20H36O6/c1-5-17(9-21)11-23-19(24-12-17)7-16(4)20(8-15(19)3)25-13-18(6-2,10-22)14-26-20/h15-16,21-22H,5-14H2,1-4H3
InChIKeyFXYNMEQFCLLQGA-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.32
Rot. Bonds4

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

[3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol (PubChem CID 139424065) has the molecular formula C20H36O6 and a molecular weight of 372.50 g/mol. Its IUPAC name is [3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol.

Molecular Properties

Compound Name[3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
PubChem CID139424065
Molecular FormulaC20H36O6
Molecular Weight372.50 g/mol
Exact Mass372.25
IUPAC Name[3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
SMILESCCC1(CO)COC2(CC(C)C3(CC2C)OCC(CC)(CO)CO3)OC1
InChIInChI=1S/C20H36O6/c1-5-17(9-21)11-23-19(24-12-17)7-16(4)20(8-15(19)3)25-13-18(6-2,10-22)14-26-20/h15-16,21-22H,5-14H2,1-4H3
InChIKeyFXYNMEQFCLLQGA-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

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

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Related Compounds

(3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol
CID 20734140
[3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol
CID 155327910
[8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
CID 139424095
(3-ethyl-9-oxo-8,10-diphenyl-1,5-dioxa-9λ4-thiaspiro[5.5]undecan-3-yl)methanol
CID 19877236
(3,10,10-triethyl-8,8-dimethyl-9-sulfanyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanol
CID 142146351
[5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol
CID 150381482
[5-(hydroxymethyl)-2,2-di(undecyl)-1,3-dioxan-5-yl]methanol
CID 10961485
(2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol
CID 59297314
ethane;(4-ethyloxan-4-yl)methanol
CID 143573647
[5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol
CID 58731913
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane
CID 157089919
[3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetan-3-yl]methanol
CID 141464010

Frequently Asked Questions

What is the IUPAC name of [3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol?
The IUPAC name of [3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol (CID 139424065) is [3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol.
What is the SMILES notation for [3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol?
The canonical SMILES for [3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol is CCC1(CO)COC2(CC(C)C3(CC2C)OCC(CC)(CO)CO3)OC1.
What is the InChIKey of [3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol?
The InChIKey is FXYNMEQFCLLQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O6/c1-5-17(9-21)11-23-19(24-12-17)7-16(4)20(8-15(19)3)25-13-18(6-2,10-22)14-26-20/h15-16,21-22H,5-14H2,1-4H3.
What are the key properties of [3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol?
[3,12-diethyl-12-(hydroxymethyl)-8,16-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 [3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol is sourced from PubChem (CID 139424065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).