tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane

C22H44O2Sn — CID 135049326

IUPACtributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane
SMILESCCCC[Sn](/C=C/CC(C)OC1CCCCO1)(CCCC)CCCC
InChIInChI=1S/C10H17O2.3C4H9.Sn/c1-3-6-9(2)12-10-7-4-5-8-11-10;3*1-3-4-2;/h1,3,9-10H,4-8H2,2H3;3*1,3-4H2,2H3;
InChIKeyQJYQVWFIKFJDCJ-UHFFFAOYSA-N
MW459.30 g/mol
LogP7.25
Rot. Bonds14

About tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane

tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane (PubChem CID 135049326) has the molecular formula C22H44O2Sn and a molecular weight of 459.30 g/mol. Its IUPAC name is tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane
PubChem CID135049326
Molecular FormulaC22H44O2Sn
Molecular Weight459.30 g/mol
Exact Mass460.24
IUPAC Nametributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane
SMILESCCCC[Sn](/C=C/CC(C)OC1CCCCO1)(CCCC)CCCC
InChIInChI=1S/C10H17O2.3C4H9.Sn/c1-3-6-9(2)12-10-7-4-5-8-11-10;3*1-3-4-2;/h1,3,9-10H,4-8H2,2H3;3*1,3-4H2,2H3;
InChIKeyQJYQVWFIKFJDCJ-UHFFFAOYSA-N
XLogP7.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.30
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane
CID 67865469
2-butan-2-yloxyoxane
CID 559028
2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane
CID 102392953
3-(oxan-2-yloxy)butanoic acid
CID 14279636
2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
2-[(Z,2S)-hex-3-en-2-yl]oxyoxane
CID 58329904
2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane
CID 11184433
2-hept-1-en-3-yloxyoxane
CID 20796050
(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane (CID 135049326) is tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane is CCCC[Sn](/C=C/CC(C)OC1CCCCO1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane?
The InChIKey is QJYQVWFIKFJDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O2.3C4H9.Sn/c1-3-6-9(2)12-10-7-4-5-8-11-10;3*1-3-4-2;/h1,3,9-10H,4-8H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane?
tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane has a molecular weight of 459.30 g/mol, XLogP of 7.25, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane is sourced from PubChem (CID 135049326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).