dipropan-2-yl 1-tributylstannylhexyl phosphate

C24H53O4PSn — CID 15306679

IUPACdipropan-2-yl 1-tributylstannylhexyl phosphate
SMILESCCCCCC(OP(=O)(OC(C)C)OC(C)C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H26O4P.3C4H9.Sn/c1-6-7-8-9-10-14-17(13,15-11(2)3)16-12(4)5;3*1-3-4-2;/h10-12H,6-9H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyZLSHAPHMAXZMSG-UHFFFAOYSA-N
MW555.37 g/mol
LogP9.30
Rot. Bonds20

About dipropan-2-yl 1-tributylstannylhexyl phosphate

dipropan-2-yl 1-tributylstannylhexyl phosphate (PubChem CID 15306679) has the molecular formula C24H53O4PSn and a molecular weight of 555.37 g/mol. Its IUPAC name is dipropan-2-yl 1-tributylstannylhexyl phosphate.

Molecular Properties

Compound Namedipropan-2-yl 1-tributylstannylhexyl phosphate
PubChem CID15306679
Molecular FormulaC24H53O4PSn
Molecular Weight555.37 g/mol
Exact Mass556.27
IUPAC Namedipropan-2-yl 1-tributylstannylhexyl phosphate
SMILESCCCCCC(OP(=O)(OC(C)C)OC(C)C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H26O4P.3C4H9.Sn/c1-6-7-8-9-10-14-17(13,15-11(2)3)16-12(4)5;3*1-3-4-2;/h10-12H,6-9H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyZLSHAPHMAXZMSG-UHFFFAOYSA-N
XLogP9.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.37
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triheptatriacontan-19-yl phosphate
CID 87670645
trioctan-3-yl phosphate
CID 22497520
tributyl(1-ethoxypentyl)stannane
CID 87709895
butan-2-yl dipropan-2-yl phosphate
CID 71379379
1-di(propan-2-yloxy)phosphoryltetracosane
CID 23336035
tris(dioctan-2-yl phosphate);neodymium(3+)
CID 22237881
dioctan-2-yl phosphate;iron(2+)
CID 157379729
tris(1-cyclohexylhexadecyl) phosphate
CID 88626297
butyl diheptan-2-yl phosphate
CID 22497679
(2R,3S)-3-tributylstannyloctan-2-ol
CID 177407142
2-[amino(propan-2-yloxy)phosphoryl]oxypentane
CID 174170604
3-[butyl(pentyl)amino]propyl dipropan-2-yl phosphate
CID 171750182

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 1-tributylstannylhexyl phosphate?
The IUPAC name of dipropan-2-yl 1-tributylstannylhexyl phosphate (CID 15306679) is dipropan-2-yl 1-tributylstannylhexyl phosphate.
What is the SMILES notation for dipropan-2-yl 1-tributylstannylhexyl phosphate?
The canonical SMILES for dipropan-2-yl 1-tributylstannylhexyl phosphate is CCCCCC(OP(=O)(OC(C)C)OC(C)C)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of dipropan-2-yl 1-tributylstannylhexyl phosphate?
The InChIKey is ZLSHAPHMAXZMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4P.3C4H9.Sn/c1-6-7-8-9-10-14-17(13,15-11(2)3)16-12(4)5;3*1-3-4-2;/h10-12H,6-9H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of dipropan-2-yl 1-tributylstannylhexyl phosphate?
dipropan-2-yl 1-tributylstannylhexyl phosphate has a molecular weight of 555.37 g/mol, XLogP of 9.30, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 1-tributylstannylhexyl phosphate is sourced from PubChem (CID 15306679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).