[(E)-1-tributylstannylhex-2-enyl] acetate

C20H40O2Sn — CID 15652301

IUPAC[(E)-1-tributylstannylhex-2-enyl] acetate
SMILESCCC/C=C/C(OC(C)=O)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H13O2.3C4H9.Sn/c1-3-4-5-6-7-10-8(2)9;3*1-3-4-2;/h5-7H,3-4H2,1-2H3;3*1,3-4H2,2H3;/b6-5+;;;;
InChIKeyPUJRLIGEURWGSQ-WPYDVODASA-N
MW431.25 g/mol
LogP6.66
Rot. Bonds14

About [(E)-1-tributylstannylhex-2-enyl] acetate

[(E)-1-tributylstannylhex-2-enyl] acetate (PubChem CID 15652301) has the molecular formula C20H40O2Sn and a molecular weight of 431.25 g/mol. Its IUPAC name is [(E)-1-tributylstannylhex-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-1-tributylstannylhex-2-enyl] acetate
PubChem CID15652301
Molecular FormulaC20H40O2Sn
Molecular Weight431.25 g/mol
Exact Mass432.21
IUPAC Name[(E)-1-tributylstannylhex-2-enyl] acetate
SMILESCCC/C=C/C(OC(C)=O)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H13O2.3C4H9.Sn/c1-3-4-5-6-7-10-8(2)9;3*1-3-4-2;/h5-7H,3-4H2,1-2H3;3*1,3-4H2,2H3;/b6-5+;;;;
InChIKeyPUJRLIGEURWGSQ-WPYDVODASA-N
XLogP6.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.25
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-acetyloxyoct-2-enyl] acetate
CID 88547351
tetradec-10-en-5-yl acetate
CID 54019946
[(E)-4-tributylstannylbut-3-en-2-yl] acetate
CID 14112699
(E)-1-tributylstannylhept-2-en-1-ol
CID 14261920
1-acetyloxydec-5-enyl acetate
CID 86759751
methyl (E,2R)-2-acetyloxyhexadec-3-enoate
CID 102491537
[(E)-pentacos-11-en-8-yl] acetate
CID 126648537
icos-13-en-10-yl acetate
CID 175361590
3-methylnon-5-en-2-yl acetate
CID 91134624
[(E)-1-oxo-1-phenylhept-3-en-2-yl] acetate
CID 15652317
[(E,2R,3S)-1-hydroxy-2-(octadecanoylamino)octadec-4-en-3-yl] acetate
CID 10579584
[(Z)-1-hydroxytetradec-1-en-7-yl] acetate
CID 175011944

Frequently Asked Questions

What is the IUPAC name of [(E)-1-tributylstannylhex-2-enyl] acetate?
The IUPAC name of [(E)-1-tributylstannylhex-2-enyl] acetate (CID 15652301) is [(E)-1-tributylstannylhex-2-enyl] acetate.
What is the SMILES notation for [(E)-1-tributylstannylhex-2-enyl] acetate?
The canonical SMILES for [(E)-1-tributylstannylhex-2-enyl] acetate is CCC/C=C/C(OC(C)=O)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of [(E)-1-tributylstannylhex-2-enyl] acetate?
The InChIKey is PUJRLIGEURWGSQ-WPYDVODASA-N. The full InChI is InChI=1S/C8H13O2.3C4H9.Sn/c1-3-4-5-6-7-10-8(2)9;3*1-3-4-2;/h5-7H,3-4H2,1-2H3;3*1,3-4H2,2H3;/b6-5+;;;;.
What are the key properties of [(E)-1-tributylstannylhex-2-enyl] acetate?
[(E)-1-tributylstannylhex-2-enyl] acetate has a molecular weight of 431.25 g/mol, XLogP of 6.66, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-tributylstannylhex-2-enyl] acetate is sourced from PubChem (CID 15652301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).