5-tributylstannylhex-5-enenitrile

C18H35NSn — CID 11292042

IUPAC5-tributylstannylhex-5-enenitrile
SMILESC=C(CCCC#N)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H8N.3C4H9.Sn/c1-2-3-4-5-6-7;3*1-3-4-2;/h1,3-5H2;3*1,3-4H2,2H3;
InChIKeyUOFLLMYTAYEHOB-UHFFFAOYSA-N
MW384.20 g/mol
LogP6.62
Rot. Bonds13

About 5-tributylstannylhex-5-enenitrile

5-tributylstannylhex-5-enenitrile (PubChem CID 11292042) has the molecular formula C18H35NSn and a molecular weight of 384.20 g/mol. Its IUPAC name is 5-tributylstannylhex-5-enenitrile.

Molecular Properties

Compound Name5-tributylstannylhex-5-enenitrile
PubChem CID11292042
Molecular FormulaC18H35NSn
Molecular Weight384.20 g/mol
Exact Mass385.18
IUPAC Name5-tributylstannylhex-5-enenitrile
SMILESC=C(CCCC#N)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H8N.3C4H9.Sn/c1-2-3-4-5-6-7;3*1-3-4-2;/h1,3-5H2;3*1,3-4H2,2H3;
InChIKeyUOFLLMYTAYEHOB-UHFFFAOYSA-N
XLogP6.62
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.20
LogP ≤ 56.62
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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Frequently Asked Questions

What is the IUPAC name of 5-tributylstannylhex-5-enenitrile?
The IUPAC name of 5-tributylstannylhex-5-enenitrile (CID 11292042) is 5-tributylstannylhex-5-enenitrile.
What is the SMILES notation for 5-tributylstannylhex-5-enenitrile?
The canonical SMILES for 5-tributylstannylhex-5-enenitrile is C=C(CCCC#N)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of 5-tributylstannylhex-5-enenitrile?
The InChIKey is UOFLLMYTAYEHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N.3C4H9.Sn/c1-2-3-4-5-6-7;3*1-3-4-2;/h1,3-5H2;3*1,3-4H2,2H3;.
What are the key properties of 5-tributylstannylhex-5-enenitrile?
5-tributylstannylhex-5-enenitrile has a molecular weight of 384.20 g/mol, XLogP of 6.62, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tributylstannylhex-5-enenitrile is sourced from PubChem (CID 11292042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).