tributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane

C20H40O2Sn — CID 15383476

IUPACtributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane
SMILESCCCC[Sn](C#C[C@H](CC)OCCOC)(CCCC)CCCC
InChIInChI=1S/C8H13O2.3C4H9.Sn/c1-4-8(5-2)10-7-6-9-3;3*1-3-4-2;/h8H,4,6-7H2,1,3H3;3*1,3-4H2,2H3;/t8-;;;;/m0..../s1
InChIKeyRLOUTFAAHXXWAB-USHJOAKVSA-N
MW431.25 g/mol
LogP5.82
Rot. Bonds14

About tributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane

tributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane (PubChem CID 15383476) has the molecular formula C20H40O2Sn and a molecular weight of 431.25 g/mol. Its IUPAC name is tributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane.

Molecular Properties

Compound Nametributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane
PubChem CID15383476
Molecular FormulaC20H40O2Sn
Molecular Weight431.25 g/mol
Exact Mass432.21
IUPAC Nametributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane
SMILESCCCC[Sn](C#C[C@H](CC)OCCOC)(CCCC)CCCC
InChIInChI=1S/C8H13O2.3C4H9.Sn/c1-4-8(5-2)10-7-6-9-3;3*1-3-4-2;/h8H,4,6-7H2,1,3H3;3*1,3-4H2,2H3;/t8-;;;;/m0..../s1
InChIKeyRLOUTFAAHXXWAB-USHJOAKVSA-N
XLogP5.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.25
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12,13-Dimethoxytetradeca-2,4,6,8,10-pentayne
CID 162942194
(12R,13R)-12,13-dimethoxytetradeca-2,4,6,8,10-pentayne
CID 162942195
Tributyl(3-methoxypent-1-ynyl)stannane
CID 15383474
tributyl-[(3R)-3-(2-methoxyethoxy)pent-1-ynyl]stannane
CID 15383477
Tributyl(3-ethoxybut-1-ynyl)stannane
CID 15383479
tributyl-[(3S)-3-ethoxybut-1-ynyl]stannane
CID 15383480
6,7-Diethoxyhepta-2,4-diyne
CID 20750785
Tributyl-[3-(2-methoxyethoxy)-3-methylbut-1-ynyl]stannane
CID 23366151
Tributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane
CID 23366152
3-(2-Ethoxyethoxy)pent-1-yne
CID 23366179
Tributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane
CID 23366180
Tributyl-[3-(2-methoxyethoxy)pent-1-ynyl]stannane
CID 23366196

Frequently Asked Questions

What is the IUPAC name of tributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane?
The IUPAC name of tributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane (CID 15383476) is tributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane.
What is the SMILES notation for tributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane?
The canonical SMILES for tributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane is CCCC[Sn](C#C[C@H](CC)OCCOC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane?
The InChIKey is RLOUTFAAHXXWAB-USHJOAKVSA-N. The full InChI is InChI=1S/C8H13O2.3C4H9.Sn/c1-4-8(5-2)10-7-6-9-3;3*1-3-4-2;/h8H,4,6-7H2,1,3H3;3*1,3-4H2,2H3;/t8-;;;;/m0..../s1.
What are the key properties of tributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane?
tributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane has a molecular weight of 431.25 g/mol, XLogP of 5.82, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(3S)-3-(2-methoxyethoxy)pent-1-ynyl]stannane is sourced from PubChem (CID 15383476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).