(E)-7-tributylstannylhept-6-enenitrile

C19H37NSn — CID 19007719

IUPAC(E)-7-tributylstannylhept-6-enenitrile
SMILESCCCC[Sn](/C=C/CCCCC#N)(CCCC)CCCC
InChIInChI=1S/C7H10N.3C4H9.Sn/c1-2-3-4-5-6-7-8;3*1-3-4-2;/h1-2H,3-6H2;3*1,3-4H2,2H3;
InChIKeyQWKCJGOQBQTISU-UHFFFAOYSA-N
MW398.22 g/mol
LogP7.01
Rot. Bonds14

About (E)-7-tributylstannylhept-6-enenitrile

(E)-7-tributylstannylhept-6-enenitrile (PubChem CID 19007719) has the molecular formula C19H37NSn and a molecular weight of 398.22 g/mol. Its IUPAC name is (E)-7-tributylstannylhept-6-enenitrile.

Molecular Properties

Compound Name(E)-7-tributylstannylhept-6-enenitrile
PubChem CID19007719
Molecular FormulaC19H37NSn
Molecular Weight398.22 g/mol
Exact Mass399.19
IUPAC Name(E)-7-tributylstannylhept-6-enenitrile
SMILESCCCC[Sn](/C=C/CCCCC#N)(CCCC)CCCC
InChIInChI=1S/C7H10N.3C4H9.Sn/c1-2-3-4-5-6-7-8;3*1-3-4-2;/h1-2H,3-6H2;3*1,3-4H2,2H3;
InChIKeyQWKCJGOQBQTISU-UHFFFAOYSA-N
XLogP7.01
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.22
LogP ≤ 57.01
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

octadec-6-enenitrile
CID 54098739
(E)-dodec-8-enenitrile
CID 101282237
(E)-dec-4-enenitrile
CID 88850530
(4E,7Z)-trideca-4,7-dienenitrile
CID 14381080
(5E,7E)-tetradeca-5,7-dienenitrile
CID 11989535
tributyl(4-tributylstannylbut-3-enoxy)stannane
CID 141193186
(E)-dec-7-enenitrile
CID 88850471
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
(E)-(111C)non-4-enenitrile
CID 10103223
(5E,7E,9E)-tetradeca-5,7,9-trienenitrile
CID 101282545
octadecanenitrile
CID 12532
undecanenitrile
CID 16722

Frequently Asked Questions

What is the IUPAC name of (E)-7-tributylstannylhept-6-enenitrile?
The IUPAC name of (E)-7-tributylstannylhept-6-enenitrile (CID 19007719) is (E)-7-tributylstannylhept-6-enenitrile.
What is the SMILES notation for (E)-7-tributylstannylhept-6-enenitrile?
The canonical SMILES for (E)-7-tributylstannylhept-6-enenitrile is CCCC[Sn](/C=C/CCCCC#N)(CCCC)CCCC.
What is the InChIKey of (E)-7-tributylstannylhept-6-enenitrile?
The InChIKey is QWKCJGOQBQTISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.3C4H9.Sn/c1-2-3-4-5-6-7-8;3*1-3-4-2;/h1-2H,3-6H2;3*1,3-4H2,2H3;.
What are the key properties of (E)-7-tributylstannylhept-6-enenitrile?
(E)-7-tributylstannylhept-6-enenitrile has a molecular weight of 398.22 g/mol, XLogP of 7.01, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-tributylstannylhept-6-enenitrile is sourced from PubChem (CID 19007719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).