1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol

C25H42O2Sn — CID 14527450

IUPAC1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol
SMILESCCCC[Sn](CCCC)(CCCC)COCC#CC(O)CCc1ccccc1
InChIInChI=1S/C13H15O2.3C4H9.Sn/c1-15-11-5-8-13(14)10-9-12-6-3-2-4-7-12;3*1-3-4-2;/h2-4,6-7,13-14H,1,9-11H2;3*1,3-4H2,2H3;
InChIKeyBPEFXTDSDRDSHL-UHFFFAOYSA-N
MW493.32 g/mol
LogP6.39
Rot. Bonds15

About 1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol

1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol (PubChem CID 14527450) has the molecular formula C25H42O2Sn and a molecular weight of 493.32 g/mol. Its IUPAC name is 1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol.

Molecular Properties

Compound Name1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol
PubChem CID14527450
Molecular FormulaC25H42O2Sn
Molecular Weight493.32 g/mol
Exact Mass494.22
IUPAC Name1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol
SMILESCCCC[Sn](CCCC)(CCCC)COCC#CC(O)CCc1ccccc1
InChIInChI=1S/C13H15O2.3C4H9.Sn/c1-15-11-5-8-13(14)10-9-12-6-3-2-4-7-12;3*1-3-4-2;/h2-4,6-7,13-14H,1,9-11H2;3*1,3-4H2,2H3;
InChIKeyBPEFXTDSDRDSHL-UHFFFAOYSA-N
XLogP6.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.32
LogP ≤ 56.39
H-Bond Donors ≤ 51
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

(Z)-1-phenyl-6-tributylstannylhex-4-en-3-ol
CID 177410163
8-phenyloct-4-yne-1,6-diol
CID 101480426
1-phenylheptan-3-ol
CID 10420110
(E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol
CID 14527456
(4S)-9-phenylmethoxynon-5-yn-4-ol
CID 102048259
(Z)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol
CID 14527457
(3S)-1,5-diphenylpent-1-yn-3-ol
CID 54756336
[(4R)-1-phenylmethoxynon-2-yn-4-yl] acetate
CID 22800251
1-[(4-methylsulfanylphenyl)methoxy]non-2-yn-4-ol
CID 56968385
N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine
CID 160812472
(4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol
CID 50993196
2-phenylmethoxy-1-tributylstannylethanol
CID 10551127

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol?
The IUPAC name of 1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol (CID 14527450) is 1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol.
What is the SMILES notation for 1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol?
The canonical SMILES for 1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol is CCCC[Sn](CCCC)(CCCC)COCC#CC(O)CCc1ccccc1.
What is the InChIKey of 1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol?
The InChIKey is BPEFXTDSDRDSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15O2.3C4H9.Sn/c1-15-11-5-8-13(14)10-9-12-6-3-2-4-7-12;3*1-3-4-2;/h2-4,6-7,13-14H,1,9-11H2;3*1,3-4H2,2H3;.
What are the key properties of 1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol?
1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol has a molecular weight of 493.32 g/mol, XLogP of 6.39, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol is sourced from PubChem (CID 14527450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).