tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane

C28H56O2Sn — CID 67865469

IUPACtributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane
SMILESCCCCCCCCC(C=C[Sn](CCCC)(CCCC)CCCC)OC1CCCCO1
InChIInChI=1S/C16H29O2.3C4H9.Sn/c1-3-5-6-7-8-9-12-15(4-2)18-16-13-10-11-14-17-16;3*1-3-4-2;/h2,4,15-16H,3,5-14H2,1H3;3*1,3-4H2,2H3;
InChIKeyYPQUKMIOFKOXFT-UHFFFAOYSA-N
MW543.47 g/mol
LogP9.59
Rot. Bonds20

About tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane

tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane (PubChem CID 67865469) has the molecular formula C28H56O2Sn and a molecular weight of 543.47 g/mol. Its IUPAC name is tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane
PubChem CID67865469
Molecular FormulaC28H56O2Sn
Molecular Weight543.47 g/mol
Exact Mass544.33
IUPAC Nametributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane
SMILESCCCCCCCCC(C=C[Sn](CCCC)(CCCC)CCCC)OC1CCCCO1
InChIInChI=1S/C16H29O2.3C4H9.Sn/c1-3-5-6-7-8-9-12-15(4-2)18-16-13-10-11-14-17-16;3*1-3-4-2;/h2,4,15-16H,3,5-14H2,1H3;3*1,3-4H2,2H3;
InChIKeyYPQUKMIOFKOXFT-UHFFFAOYSA-N
XLogP9.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.47
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E,4R)-dodec-2-en-4-yl]oxyoxane
CID 102392946
2-oct-1-en-3-yloxyoxane
CID 10727282
tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane
CID 135049326
2-hept-1-en-3-yloxyoxane
CID 20796050
2-[(3R)-octan-3-yl]oxyoxane
CID 145000966
(1R,3R,4R)-2-methylidene-4-(oxan-2-yloxy)-3-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol
CID 57290182
(3aR,4R,5R,6aS)-5-hydroxy-4-[3-(oxan-2-yloxy)dec-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70179407
(4R)-4-(oxan-2-yloxy)nonanal
CID 54007361
[(1S,2S)-2-acetyloxy-5-hydroxy-3-[3-(oxan-2-yloxy)oct-1-enyl]cyclopent-3-en-1-yl] acetate
CID 70593471
(2S)-2-[(1R)-1-(oxan-2-yloxy)octyl]dodecanoic acid
CID 101131263
(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
CID 11832481
methyl (16R)-16-(oxan-2-yloxy)icos-14-en-5-ynoate
CID 90780469

Frequently Asked Questions

What is the IUPAC name of tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane?
The IUPAC name of tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane (CID 67865469) is tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane.
What is the SMILES notation for tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane?
The canonical SMILES for tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane is CCCCCCCCC(C=C[Sn](CCCC)(CCCC)CCCC)OC1CCCCO1.
What is the InChIKey of tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane?
The InChIKey is YPQUKMIOFKOXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29O2.3C4H9.Sn/c1-3-5-6-7-8-9-12-15(4-2)18-16-13-10-11-14-17-16;3*1-3-4-2;/h2,4,15-16H,3,5-14H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane?
tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane has a molecular weight of 543.47 g/mol, XLogP of 9.59, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane is sourced from PubChem (CID 67865469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).