4-tributylstannyldec-1-en-5-one

C22H44OSn — CID 10527216

IUPAC4-tributylstannyldec-1-en-5-one
SMILESC=CCC(C(=O)CCCCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C10H17O.3C4H9.Sn/c1-3-5-7-9-10(11)8-6-4-2;3*1-3-4-2;/h4,8H,2-3,5-7,9H2,1H3;3*1,3-4H2,2H3;
InChIKeyFYDURGPMSUKQAO-UHFFFAOYSA-N
MW443.30 g/mol
LogP7.93
Rot. Bonds17

About 4-tributylstannyldec-1-en-5-one

4-tributylstannyldec-1-en-5-one (PubChem CID 10527216) has the molecular formula C22H44OSn and a molecular weight of 443.30 g/mol. Its IUPAC name is 4-tributylstannyldec-1-en-5-one.

Molecular Properties

Compound Name4-tributylstannyldec-1-en-5-one
PubChem CID10527216
Molecular FormulaC22H44OSn
Molecular Weight443.30 g/mol
Exact Mass444.24
IUPAC Name4-tributylstannyldec-1-en-5-one
SMILESC=CCC(C(=O)CCCCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C10H17O.3C4H9.Sn/c1-3-5-7-9-10(11)8-6-4-2;3*1-3-4-2;/h4,8H,2-3,5-7,9H2,1H3;3*1,3-4H2,2H3;
InChIKeyFYDURGPMSUKQAO-UHFFFAOYSA-N
XLogP7.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.30
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-aminotetradec-1-en-5-one
CID 116606806
4-propylnon-1-en-5-one
CID 11105997
3-methylhexadec-1-en-4-one
CID 15633952
N-(2-methyl-4-oxotricosan-3-yl)pent-4-enamide
CID 58421158
8-ethenyldocosan-7-one
CID 142765848
2,5-bis(tributylstannyl)pent-4-enoic acid
CID 173392847
1,1-bis(sulfanyl)heptan-2-one
CID 88623659
2-methylhexadecan-3-one
CID 58030381
25-methylnonatetracontane-24,26-dione
CID 173069947
(4R)-dodec-1-en-4-ol
CID 11074077
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
diethyl 2-dodecanoyl-3-ethenylbutanedioate
CID 88764736

Frequently Asked Questions

What is the IUPAC name of 4-tributylstannyldec-1-en-5-one?
The IUPAC name of 4-tributylstannyldec-1-en-5-one (CID 10527216) is 4-tributylstannyldec-1-en-5-one.
What is the SMILES notation for 4-tributylstannyldec-1-en-5-one?
The canonical SMILES for 4-tributylstannyldec-1-en-5-one is C=CCC(C(=O)CCCCC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of 4-tributylstannyldec-1-en-5-one?
The InChIKey is FYDURGPMSUKQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O.3C4H9.Sn/c1-3-5-7-9-10(11)8-6-4-2;3*1-3-4-2;/h4,8H,2-3,5-7,9H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of 4-tributylstannyldec-1-en-5-one?
4-tributylstannyldec-1-en-5-one has a molecular weight of 443.30 g/mol, XLogP of 7.93, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tributylstannyldec-1-en-5-one is sourced from PubChem (CID 10527216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).