benzyl 5-tributylstannylpent-4-enoate

C24H40O2Sn — CID 68865303

IUPACbenzyl 5-tributylstannylpent-4-enoate
SMILESCCCC[Sn](C=CCCC(=O)OCc1ccccc1)(CCCC)CCCC
InChIInChI=1S/C12H13O2.3C4H9.Sn/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11;3*1-3-4-2;/h1-2,4-8H,3,9-10H2;3*1,3-4H2,2H3;
InChIKeyKDBTVKMQGBKHJV-UHFFFAOYSA-N
MW479.29 g/mol
LogP7.45
Rot. Bonds15

About benzyl 5-tributylstannylpent-4-enoate

benzyl 5-tributylstannylpent-4-enoate (PubChem CID 68865303) has the molecular formula C24H40O2Sn and a molecular weight of 479.29 g/mol. Its IUPAC name is benzyl 5-tributylstannylpent-4-enoate.

Molecular Properties

Compound Namebenzyl 5-tributylstannylpent-4-enoate
PubChem CID68865303
Molecular FormulaC24H40O2Sn
Molecular Weight479.29 g/mol
Exact Mass480.21
IUPAC Namebenzyl 5-tributylstannylpent-4-enoate
SMILESCCCC[Sn](C=CCCC(=O)OCc1ccccc1)(CCCC)CCCC
InChIInChI=1S/C12H13O2.3C4H9.Sn/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11;3*1-3-4-2;/h1-2,4-8H,3,9-10H2;3*1,3-4H2,2H3;
InChIKeyKDBTVKMQGBKHJV-UHFFFAOYSA-N
XLogP7.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.29
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl (9Z,12Z)-octadeca-9,12-dienoate
CID 5368290
benzyl heptadecanoate
CID 522569
benzyl decanoate;N,N-dimethylmethanamine
CID 175539518
tributyl-[(E)-5-phenylpent-1-enyl]stannane
CID 12793749
benzyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
CID 151994242
benzyl (Z)-hept-5-enoate
CID 163975250
4-O-benzyl 1-O-octyl butanedioate
CID 528266
benzyl butanoate;propanoic acid
CID 175271849
7-aminoheptanoic acid;benzyl octanoate
CID 160732749
benzyl pent-4-enoate;pent-4-enoic acid
CID 160968601
benzyl 4-oxoheptanoate
CID 172815327
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553

Frequently Asked Questions

What is the IUPAC name of benzyl 5-tributylstannylpent-4-enoate?
The IUPAC name of benzyl 5-tributylstannylpent-4-enoate (CID 68865303) is benzyl 5-tributylstannylpent-4-enoate.
What is the SMILES notation for benzyl 5-tributylstannylpent-4-enoate?
The canonical SMILES for benzyl 5-tributylstannylpent-4-enoate is CCCC[Sn](C=CCCC(=O)OCc1ccccc1)(CCCC)CCCC.
What is the InChIKey of benzyl 5-tributylstannylpent-4-enoate?
The InChIKey is KDBTVKMQGBKHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O2.3C4H9.Sn/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11;3*1-3-4-2;/h1-2,4-8H,3,9-10H2;3*1,3-4H2,2H3;.
What are the key properties of benzyl 5-tributylstannylpent-4-enoate?
benzyl 5-tributylstannylpent-4-enoate has a molecular weight of 479.29 g/mol, XLogP of 7.45, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-tributylstannylpent-4-enoate is sourced from PubChem (CID 68865303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).