3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane

C16H32O2Sn — CID 16683407

IUPAC3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane
SMILESCCCC[Sn]1(CCCC)OCC2(CCCCC2)CO1
InChIInChI=1S/C8H14O2.2C4H9.Sn/c9-6-8(7-10)4-2-1-3-5-8;2*1-3-4-2;/h1-7H2;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyPSRFMJXBILYGBX-UHFFFAOYSA-N
MW375.14 g/mol
LogP5.03
Rot. Bonds6

About 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane

3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane (PubChem CID 16683407) has the molecular formula C16H32O2Sn and a molecular weight of 375.14 g/mol. Its IUPAC name is 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane
PubChem CID16683407
Molecular FormulaC16H32O2Sn
Molecular Weight375.14 g/mol
Exact Mass376.14
IUPAC Name3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane
SMILESCCCC[Sn]1(CCCC)OCC2(CCCCC2)CO1
InChIInChI=1S/C8H14O2.2C4H9.Sn/c9-6-8(7-10)4-2-1-3-5-8;2*1-3-4-2;/h1-7H2;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyPSRFMJXBILYGBX-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.14
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane?
The IUPAC name of 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane (CID 16683407) is 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane.
What is the SMILES notation for 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane?
The canonical SMILES for 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane is CCCC[Sn]1(CCCC)OCC2(CCCCC2)CO1.
What is the InChIKey of 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane?
The InChIKey is PSRFMJXBILYGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.2C4H9.Sn/c9-6-8(7-10)4-2-1-3-5-8;2*1-3-4-2;/h1-7H2;2*1,3-4H2,2H3;/q-2;;;+2.
What are the key properties of 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane?
3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane has a molecular weight of 375.14 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane is sourced from PubChem (CID 16683407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).