8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C69H125N9O12 — CID 20510585

IUPAC8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCCCCCN1C(=O)NC2(CC(C)(C)N(CC(O)COCC(COCC(O)CN3C(C)(C)CC4(CC3(C)C)NC(=O)N(CCCCCCCC)C4=O)OCC(O)CN3C(C)(C)CC4(CC3(C)C)NC(=O)N(CCCCCCCC)C4=O)C(C)(C)C2)C1=O
InChIInChI=1S/C69H125N9O12/c1-16-19-22-25-28-31-34-73-55(82)67(70-58(73)85)45-61(4,5)76(62(6,7)46-67)37-51(79)40-88-43-54(90-42-53(81)39-78-65(12,13)49-69(50-66(78,14)15)57(84)75(60(87)72-69)36-33-30-27-24-21-18-3)44-89-41-52(80)38-77-63(8,9)47-68(48-64(77,10)11)56(83)74(59(86)71-68)35-32-29-26-23-20-17-2/h51-54,79-81H,16-50H2,1-15H3,(H,70,85)(H,71,86)(H,72,87)
InChIKeyMPCVXRRDWRPAAT-UHFFFAOYSA-N
MW1272.81 g/mol
LogP9.40
Rot. Bonds38

About 8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 20510585) has the molecular formula C69H125N9O12 and a molecular weight of 1272.81 g/mol. Its IUPAC name is 8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID20510585
Molecular FormulaC69H125N9O12
Molecular Weight1272.81 g/mol
Exact Mass1271.94
IUPAC Name8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCCCCCN1C(=O)NC2(CC(C)(C)N(CC(O)COCC(COCC(O)CN3C(C)(C)CC4(CC3(C)C)NC(=O)N(CCCCCCCC)C4=O)OCC(O)CN3C(C)(C)CC4(CC3(C)C)NC(=O)N(CCCCCCCC)C4=O)C(C)(C)C2)C1=O
InChIInChI=1S/C69H125N9O12/c1-16-19-22-25-28-31-34-73-55(82)67(70-58(73)85)45-61(4,5)76(62(6,7)46-67)37-51(79)40-88-43-54(90-42-53(81)39-78-65(12,13)49-69(50-66(78,14)15)57(84)75(60(87)72-69)36-33-30-27-24-21-18-3)44-89-41-52(80)38-77-63(8,9)47-68(48-64(77,10)11)56(83)74(59(86)71-68)35-32-29-26-23-20-17-2/h51-54,79-81H,16-50H2,1-15H3,(H,70,85)(H,71,86)(H,72,87)
InChIKeyMPCVXRRDWRPAAT-UHFFFAOYSA-N
XLogP9.40
TPSA246.33 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds38
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001272.81
LogP ≤ 59.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 20510585) is 8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCCCCCCN1C(=O)NC2(CC(C)(C)N(CC(O)COCC(COCC(O)CN3C(C)(C)CC4(CC3(C)C)NC(=O)N(CCCCCCCC)C4=O)OCC(O)CN3C(C)(C)CC4(CC3(C)C)NC(=O)N(CCCCCCCC)C4=O)C(C)(C)C2)C1=O.
What is the InChIKey of 8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is MPCVXRRDWRPAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H125N9O12/c1-16-19-22-25-28-31-34-73-55(82)67(70-58(73)85)45-61(4,5)76(62(6,7)46-67)37-51(79)40-88-43-54(90-42-53(81)39-78-65(12,13)49-69(50-66(78,14)15)57(84)75(60(87)72-69)36-33-30-27-24-21-18-3)44-89-41-52(80)38-77-63(8,9)47-68(48-64(77,10)11)56(83)74(59(86)71-68)35-32-29-26-23-20-17-2/h51-54,79-81H,16-50H2,1-15H3,(H,70,85)(H,71,86)(H,72,87).
What are the key properties of 8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 1272.81 g/mol, XLogP of 9.40, 38 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[2,3-bis[2-hydroxy-3-(7,7,9,9-tetramethyl-3-octyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propoxy]propoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 20510585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).