1-butoxybutane;dibutyltin

C16H36OSn — CID 87184018

IUPAC1-butoxybutane;dibutyltin
SMILESCCCCOCCCC.CCCC[Sn]CCCC
InChIInChI=1S/C8H18O.2C4H9.Sn/c1-3-5-7-9-8-6-4-2;2*1-3-4-2;/h3-8H2,1-2H3;2*1,3-4H2,2H3;
InChIKeyDJCWZWWUTSWAOG-UHFFFAOYSA-N
MW363.17 g/mol
LogP5.73
Rot. Bonds12

About 1-butoxybutane;dibutyltin

1-butoxybutane;dibutyltin (PubChem CID 87184018) has the molecular formula C16H36OSn and a molecular weight of 363.17 g/mol. Its IUPAC name is 1-butoxybutane;dibutyltin.

Molecular Properties

Compound Name1-butoxybutane;dibutyltin
PubChem CID87184018
Molecular FormulaC16H36OSn
Molecular Weight363.17 g/mol
Exact Mass364.18
IUPAC Name1-butoxybutane;dibutyltin
SMILESCCCCOCCCC.CCCC[Sn]CCCC
InChIInChI=1S/C8H18O.2C4H9.Sn/c1-3-5-7-9-8-6-4-2;2*1-3-4-2;/h3-8H2,1-2H3;2*1,3-4H2,2H3;
InChIKeyDJCWZWWUTSWAOG-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.17
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 87183821
didodecyltin;1-octadecoxyoctadecane
CID 160837697
dibutyltin
CID 6484
dibutyltin;silane
CID 163880557
dibutyltin;λ2-stannane
CID 174939385
chloro hypochlorite;dibutyltin
CID 87460481
1-butoxybutane;methoxymethane
CID 18401298
aluminum;1-butoxybutane;hydride
CID 174684135
azane;1-propoxybutane
CID 87292575
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1-butoxybutane;N-methylmethanamine
CID 88830911
1,10-bis(2-butoxyethoxy)decane
CID 90257337

Frequently Asked Questions

What is the IUPAC name of 1-butoxybutane;dibutyltin?
The IUPAC name of 1-butoxybutane;dibutyltin (CID 87184018) is 1-butoxybutane;dibutyltin.
What is the SMILES notation for 1-butoxybutane;dibutyltin?
The canonical SMILES for 1-butoxybutane;dibutyltin is CCCCOCCCC.CCCC[Sn]CCCC.
What is the InChIKey of 1-butoxybutane;dibutyltin?
The InChIKey is DJCWZWWUTSWAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.2C4H9.Sn/c1-3-5-7-9-8-6-4-2;2*1-3-4-2;/h3-8H2,1-2H3;2*1,3-4H2,2H3;.
What are the key properties of 1-butoxybutane;dibutyltin?
1-butoxybutane;dibutyltin has a molecular weight of 363.17 g/mol, XLogP of 5.73, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutane;dibutyltin is sourced from PubChem (CID 87184018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).