trimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane

C18H36P2Sn — CID 86074512

IUPACtrimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane
SMILESCC(C)(C)C1=PC(C(C)(C)C)([Sn](C)(C)C)P=C1C(C)(C)C
InChIInChI=1S/C15H27P2.3CH3.Sn/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;;;;/h1-9H3;3*1H3;
InChIKeyXQXAOAKDQVTMMA-UHFFFAOYSA-N
MW433.15 g/mol
LogP6.95
Rot. Bonds1

About trimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane

trimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane (PubChem CID 86074512) has the molecular formula C18H36P2Sn and a molecular weight of 433.15 g/mol. Its IUPAC name is trimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane.

Molecular Properties

Compound Nametrimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane
PubChem CID86074512
Molecular FormulaC18H36P2Sn
Molecular Weight433.15 g/mol
Exact Mass434.13
IUPAC Nametrimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane
SMILESCC(C)(C)C1=PC(C(C)(C)C)([Sn](C)(C)C)P=C1C(C)(C)C
InChIInChI=1S/C15H27P2.3CH3.Sn/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;;;;/h1-9H3;3*1H3;
InChIKeyXQXAOAKDQVTMMA-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.15
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole
CID 66723348
2,5-ditert-butyl-3,4-dimethyl-2H-phosphole
CID 139104236
5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine
CID 107925707
2,5-ditert-butyl-3,6-dimethylpyrazine
CID 143714636
4-bromo-6-tert-butyl-3,4-dihydropyridine
CID 123301541
4,5,6-tritert-butyltriphosphinine
CID 86056990
2-tert-butyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole
CID 59262985
7,15-ditert-butyl-4,12-dioxa-3,5,8,11,13,16-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),2,5,7,10,13,15-heptaene
CID 134454942
4,5-ditert-butyl-1,3-thiazole
CID 58980037
2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol
CID 23071630
4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole
CID 66723006
tert-butyl(trimethyl)stannane
CID 10998581

Frequently Asked Questions

What is the IUPAC name of trimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane?
The IUPAC name of trimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane (CID 86074512) is trimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane.
What is the SMILES notation for trimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane?
The canonical SMILES for trimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane is CC(C)(C)C1=PC(C(C)(C)C)([Sn](C)(C)C)P=C1C(C)(C)C.
What is the InChIKey of trimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane?
The InChIKey is XQXAOAKDQVTMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27P2.3CH3.Sn/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;;;;/h1-9H3;3*1H3;.
What are the key properties of trimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane?
trimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane has a molecular weight of 433.15 g/mol, XLogP of 6.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane is sourced from PubChem (CID 86074512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).