tri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane

C27H56O2SiSn — CID 73107605

IUPACtri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CCCC(CO[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C15H29O2Si.3C4H9.Sn/c1-12(2)18(13(3)4,14(5)6)17-11-15-9-7-8-10-16-15;3*1-3-4-2;/h8,12-15H,7,9,11H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyJZVUEFIKKZZLNL-UHFFFAOYSA-N
MW559.54 g/mol
LogP9.63
Rot. Bonds16

About tri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane

tri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane (PubChem CID 73107605) has the molecular formula C27H56O2SiSn and a molecular weight of 559.54 g/mol. Its IUPAC name is tri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane
PubChem CID73107605
Molecular FormulaC27H56O2SiSn
Molecular Weight559.54 g/mol
Exact Mass560.31
IUPAC Nametri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CCCC(CO[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C15H29O2Si.3C4H9.Sn/c1-12(2)18(13(3)4,14(5)6)17-11-15-9-7-8-10-16-15;3*1-3-4-2;/h8,12-15H,7,9,11H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyJZVUEFIKKZZLNL-UHFFFAOYSA-N
XLogP9.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.54
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane?
The IUPAC name of tri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane (CID 73107605) is tri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane is CCCC[Sn](CCCC)(CCCC)C1=CCCC(CO[Si](C(C)C)(C(C)C)C(C)C)O1.
What is the InChIKey of tri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane?
The InChIKey is JZVUEFIKKZZLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29O2Si.3C4H9.Sn/c1-12(2)18(13(3)4,14(5)6)17-11-15-9-7-8-10-16-15;3*1-3-4-2;/h8,12-15H,7,9,11H2,1-6H3;3*1,3-4H2,2H3;.
What are the key properties of tri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane?
tri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane has a molecular weight of 559.54 g/mol, XLogP of 9.63, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl)methoxy]silane is sourced from PubChem (CID 73107605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).