tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane

C24H42OSn — CID 71354444

IUPACtributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane
SMILESCCCC[Sn](CC=C[C@H](C)OCc1ccccc1)(CCCC)CCCC
InChIInChI=1S/C12H15O.3C4H9.Sn/c1-3-7-11(2)13-10-12-8-5-4-6-9-12;3*1-3-4-2;/h3-9,11H,1,10H2,2H3;3*1,3-4H2,2H3;/t11-;;;;/m0..../s1
InChIKeyZXPLAMYQDAGUSB-HZAYLZKLSA-N
MW465.31 g/mol
LogP8.00
Rot. Bonds15

About tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane

tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane (PubChem CID 71354444) has the molecular formula C24H42OSn and a molecular weight of 465.31 g/mol. Its IUPAC name is tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane
PubChem CID71354444
Molecular FormulaC24H42OSn
Molecular Weight465.31 g/mol
Exact Mass466.23
IUPAC Nametributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane
SMILESCCCC[Sn](CC=C[C@H](C)OCc1ccccc1)(CCCC)CCCC
InChIInChI=1S/C12H15O.3C4H9.Sn/c1-3-7-11(2)13-10-12-8-5-4-6-9-12;3*1-3-4-2;/h3-9,11H,1,10H2,2H3;3*1,3-4H2,2H3;/t11-;;;;/m0..../s1
InChIKeyZXPLAMYQDAGUSB-HZAYLZKLSA-N
XLogP8.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.31
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenylmethoxy-8-tributylstannyloct-6-enal
CID 15189674
(Z)-1-phenyl-6-tributylstannylhex-4-en-3-ol
CID 177410163
(E,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180
(Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol
CID 14764351
(E)-4-phenylmethoxypent-2-enal
CID 59042461
[(2R,3S)-3-butoxybutan-2-yl]oxymethylbenzene
CID 57055398
butyl-tris(phenylmethoxy)stannane
CID 16688200
(E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine
CID 14660998
2-(2-phenylmethoxypropanoylamino)hexanoic acid
CID 43469799
tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane
CID 14322207
ethyl (2E)-2-(2-phenylmethoxypropylidene)hexanoate
CID 10779880
1-heptoxy-1-phenylmethoxypropan-2-ol
CID 70426834

Frequently Asked Questions

What is the IUPAC name of tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane?
The IUPAC name of tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane (CID 71354444) is tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane.
What is the SMILES notation for tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane?
The canonical SMILES for tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane is CCCC[Sn](CC=C[C@H](C)OCc1ccccc1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane?
The InChIKey is ZXPLAMYQDAGUSB-HZAYLZKLSA-N. The full InChI is InChI=1S/C12H15O.3C4H9.Sn/c1-3-7-11(2)13-10-12-8-5-4-6-9-12;3*1-3-4-2;/h3-9,11H,1,10H2,2H3;3*1,3-4H2,2H3;/t11-;;;;/m0..../s1.
What are the key properties of tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane?
tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane has a molecular weight of 465.31 g/mol, XLogP of 8.00, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane is sourced from PubChem (CID 71354444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).