8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene

C15H28O2Sn — CID 18766945

IUPAC8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene
SMILESCCCC[Sn]1(CCCC)OCC2(CC=CC2)CO1
InChIInChI=1S/C7H10O2.2C4H9.Sn/c8-5-7(6-9)3-1-2-4-7;2*1-3-4-2;/h1-2H,3-6H2;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyKGOGBYLTWMAXIR-UHFFFAOYSA-N
MW359.10 g/mol
LogP4.41
Rot. Bonds6

About 8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene

8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene (PubChem CID 18766945) has the molecular formula C15H28O2Sn and a molecular weight of 359.10 g/mol. Its IUPAC name is 8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene
PubChem CID18766945
Molecular FormulaC15H28O2Sn
Molecular Weight359.10 g/mol
Exact Mass360.11
IUPAC Name8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene
SMILESCCCC[Sn]1(CCCC)OCC2(CC=CC2)CO1
InChIInChI=1S/C7H10O2.2C4H9.Sn/c8-5-7(6-9)3-1-2-4-7;2*1-3-4-2;/h1-2H,3-6H2;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyKGOGBYLTWMAXIR-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.10
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene?
The IUPAC name of 8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene (CID 18766945) is 8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene?
The canonical SMILES for 8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene is CCCC[Sn]1(CCCC)OCC2(CC=CC2)CO1.
What is the InChIKey of 8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene?
The InChIKey is KGOGBYLTWMAXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.2C4H9.Sn/c8-5-7(6-9)3-1-2-4-7;2*1-3-4-2;/h1-2H,3-6H2;2*1,3-4H2,2H3;/q-2;;;+2.
What are the key properties of 8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene?
8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene has a molecular weight of 359.10 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene is sourced from PubChem (CID 18766945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).