tributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane

C19H40O2Sn — CID 15694475

IUPACtributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane
SMILESCC/C=C/[C@H](OCOC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H13O2.3C4H9.Sn/c1-3-4-5-6-9-7-8-2;3*1-3-4-2;/h4-6H,3,7H2,1-2H3;3*1,3-4H2,2H3;/b5-4+;;;;
InChIKeyZKBCRNOQUMZYMZ-ZIDOSWBXSA-N
MW419.24 g/mol
LogP6.33
Rot. Bonds15

About tributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane

tributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane (PubChem CID 15694475) has the molecular formula C19H40O2Sn and a molecular weight of 419.24 g/mol. Its IUPAC name is tributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane
PubChem CID15694475
Molecular FormulaC19H40O2Sn
Molecular Weight419.24 g/mol
Exact Mass420.21
IUPAC Nametributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane
SMILESCC/C=C/[C@H](OCOC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H13O2.3C4H9.Sn/c1-3-4-5-6-9-7-8-2;3*1-3-4-2;/h4-6H,3,7H2,1-2H3;3*1,3-4H2,2H3;/b5-4+;;;;
InChIKeyZKBCRNOQUMZYMZ-ZIDOSWBXSA-N
XLogP6.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.24
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Hexenal diethyl acetal, (2E)-
CID 5365137
1,1-Dimethoxyhex-2-ene, (2E)-
CID 6436486
1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
CID 6364671
1,1-Diethoxyhex-2-ene
CID 93366
1,1-Diethoxynona-2,6-diene
CID 105533
1,1-Diethoxy-2,6-nonadiene, (2Z,6Z)-
CID 20838796
2,6-Nonadienal diethyl acetal
CID 6437114
(2Z)-1-(1-Ethoxyethoxy)-2-hexene
CID 20841373
trans-2-HEXENAL DIMETHYLACETAL
CID 87582
(Z)-1,1-diethoxyhex-2-ene
CID 13140510
2-Pentene, 1,1-diethoxy-
CID 6438064
1-(1-Ethoxyethoxy)-2-hexene
CID 552135

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane?
The IUPAC name of tributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane (CID 15694475) is tributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane.
What is the SMILES notation for tributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane?
The canonical SMILES for tributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane is CC/C=C/[C@H](OCOC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane?
The InChIKey is ZKBCRNOQUMZYMZ-ZIDOSWBXSA-N. The full InChI is InChI=1S/C7H13O2.3C4H9.Sn/c1-3-4-5-6-9-7-8-2;3*1-3-4-2;/h4-6H,3,7H2,1-2H3;3*1,3-4H2,2H3;/b5-4+;;;;.
What are the key properties of tributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane?
tributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane has a molecular weight of 419.24 g/mol, XLogP of 6.33, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E,1R)-1-(methoxymethoxy)pent-2-enyl]stannane is sourced from PubChem (CID 15694475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).