tributyl(nona-1,2-dien-3-yl)stannane

C21H42Sn — CID 86089506

IUPACtributyl(nona-1,2-dien-3-yl)stannane
SMILESC=C=C(CCCCCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H15.3C4H9.Sn/c1-3-5-7-9-8-6-4-2;3*1-3-4-2;/h1,4,6-9H2,2H3;3*1,3-4H2,2H3;
InChIKeyMVEQWXVGWAAQIS-UHFFFAOYSA-N
MW413.28 g/mol
LogP8.06
Rot. Bonds15

About tributyl(nona-1,2-dien-3-yl)stannane

tributyl(nona-1,2-dien-3-yl)stannane (PubChem CID 86089506) has the molecular formula C21H42Sn and a molecular weight of 413.28 g/mol. Its IUPAC name is tributyl(nona-1,2-dien-3-yl)stannane.

Molecular Properties

Compound Nametributyl(nona-1,2-dien-3-yl)stannane
PubChem CID86089506
Molecular FormulaC21H42Sn
Molecular Weight413.28 g/mol
Exact Mass414.23
IUPAC Nametributyl(nona-1,2-dien-3-yl)stannane
SMILESC=C=C(CCCCCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H15.3C4H9.Sn/c1-3-5-7-9-8-6-4-2;3*1-3-4-2;/h1,4,6-9H2,2H3;3*1,3-4H2,2H3;
InChIKeyMVEQWXVGWAAQIS-UHFFFAOYSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.28
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tributyl(dec-1-en-2-yl)stannane
CID 14784453
tributyl-[(E)-1,2-difluorooct-1-enyl]stannane
CID 177427120
dibutyl-dodec-1-en-2-yl-iodostannane
CID 11272490
3-tributylstannylhexa-3,4-dien-1-ol
CID 15122114
5-tributylstannylhex-5-en-1-ol
CID 11773674
tributyl(1-octoxyethenyl)stannane
CID 10928397
6-methylidenedodecane
CID 21453027
henicos-1-en-2-ol
CID 90735098
6-methylidenetetradecane
CID 21477883
octadecane-9,10-dithione
CID 118647989
3-tributylstannylbut-3-en-1-ol
CID 14272948
5-ethenylidenetridec-1-ene
CID 176969639

Frequently Asked Questions

What is the IUPAC name of tributyl(nona-1,2-dien-3-yl)stannane?
The IUPAC name of tributyl(nona-1,2-dien-3-yl)stannane (CID 86089506) is tributyl(nona-1,2-dien-3-yl)stannane.
What is the SMILES notation for tributyl(nona-1,2-dien-3-yl)stannane?
The canonical SMILES for tributyl(nona-1,2-dien-3-yl)stannane is C=C=C(CCCCCC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(nona-1,2-dien-3-yl)stannane?
The InChIKey is MVEQWXVGWAAQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15.3C4H9.Sn/c1-3-5-7-9-8-6-4-2;3*1-3-4-2;/h1,4,6-9H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl(nona-1,2-dien-3-yl)stannane?
tributyl(nona-1,2-dien-3-yl)stannane has a molecular weight of 413.28 g/mol, XLogP of 8.06, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(nona-1,2-dien-3-yl)stannane is sourced from PubChem (CID 86089506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).