1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane

C20H36N2O3 — CID 91547550

IUPAC1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane
SMILESC=C(C)C(=C)OC1CC(C)(C)N(O)C2(C1)CC(C)(C)N(O)C(C)(C)C2
InChIInChI=1S/C20H36N2O3/c1-14(2)15(3)25-16-10-17(4,5)22(24)20(11-16)12-18(6,7)21(23)19(8,9)13-20/h16,23-24H,1,3,10-13H2,2,4-9H3
InChIKeyZFPXREIHFSOMSG-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.51
Rot. Bonds3

About 1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane

1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane (PubChem CID 91547550) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane
PubChem CID91547550
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC Name1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane
SMILESC=C(C)C(=C)OC1CC(C)(C)N(O)C2(C1)CC(C)(C)N(O)C(C)(C)C2
InChIInChI=1S/C20H36N2O3/c1-14(2)15(3)25-16-10-17(4,5)22(24)20(11-16)12-18(6,7)21(23)19(8,9)13-20/h16,23-24H,1,3,10-13H2,2,4-9H3
InChIKeyZFPXREIHFSOMSG-UHFFFAOYSA-N
XLogP4.51
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-6-[(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)oxy]-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 91369181
2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine
CID 91807159
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine
CID 58825118
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate
CID 20626758
3-methylbuta-1,3-dien-2-yloxycyclopentane
CID 163541173
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 149204279
1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate
CID 158347381
tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 135359248
1-O,2-O-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 147915843
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate
CID 129208299

Frequently Asked Questions

What is the IUPAC name of 1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane (CID 91547550) is 1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane is C=C(C)C(=C)OC1CC(C)(C)N(O)C2(C1)CC(C)(C)N(O)C(C)(C)C2.
What is the InChIKey of 1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane?
The InChIKey is ZFPXREIHFSOMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O3/c1-14(2)15(3)25-16-10-17(4,5)22(24)20(11-16)12-18(6,7)21(23)19(8,9)13-20/h16,23-24H,1,3,10-13H2,2,4-9H3.
What are the key properties of 1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane?
1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane has a molecular weight of 352.52 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-4-(3-methylbuta-1,3-dien-2-yloxy)-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 91547550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).