tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid

C30H66N3O6P — CID 160951906

IUPACtris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid
SMILESCN1C(C)(C)CC(O)CC1(C)C.CN1C(C)(C)CC(O)CC1(C)C.CN1C(C)(C)CC(O)CC1(C)C.OP(O)O
InChIInChI=1S/3C10H21NO.H3O3P/c3*1-9(2)6-8(12)7-10(3,4)11(9)5;1-4(2)3/h3*8,12H,6-7H2,1-5H3;1-3H
InChIKeySVWHKXPVBRZMDH-UHFFFAOYSA-N
MW595.85 g/mol
LogP4.08
Rot. Bonds

About tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid

tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid (PubChem CID 160951906) has the molecular formula C30H66N3O6P and a molecular weight of 595.85 g/mol. Its IUPAC name is tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid.

Molecular Properties

Compound Nametris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid
PubChem CID160951906
Molecular FormulaC30H66N3O6P
Molecular Weight595.85 g/mol
Exact Mass595.47
IUPAC Nametris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid
SMILESCN1C(C)(C)CC(O)CC1(C)C.CN1C(C)(C)CC(O)CC1(C)C.CN1C(C)(C)CC(O)CC1(C)C.OP(O)O
InChIInChI=1S/3C10H21NO.H3O3P/c3*1-9(2)6-8(12)7-10(3,4)11(9)5;1-4(2)3/h3*8,12H,6-7H2,1-5H3;1-3H
InChIKeySVWHKXPVBRZMDH-UHFFFAOYSA-N
XLogP4.08
TPSA131.10 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.85
LogP ≤ 54.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid?
The IUPAC name of tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid (CID 160951906) is tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid.
What is the SMILES notation for tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid?
The canonical SMILES for tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid is CN1C(C)(C)CC(O)CC1(C)C.CN1C(C)(C)CC(O)CC1(C)C.CN1C(C)(C)CC(O)CC1(C)C.OP(O)O.
What is the InChIKey of tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid?
The InChIKey is SVWHKXPVBRZMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H21NO.H3O3P/c3*1-9(2)6-8(12)7-10(3,4)11(9)5;1-4(2)3/h3*8,12H,6-7H2,1-5H3;1-3H.
What are the key properties of tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid?
tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid has a molecular weight of 595.85 g/mol, XLogP of 4.08, 0 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid is sourced from PubChem (CID 160951906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).