5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol

C21H42O2Sn — CID 10983138

IUPAC5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol
SMILESC=CC1CC(C(C)[Sn](CCCC)(CCCC)CCCC)C(C)(O)O1
InChIInChI=1S/C9H15O2.3C4H9.Sn/c1-4-7-6-8(5-2)11-9(7,3)10;3*1-3-4-2;/h4-5,7-8,10H,2,6H2,1,3H3;3*1,3-4H2,2H3;
InChIKeyRFDCSZLDXQJPNK-UHFFFAOYSA-N
MW445.28 g/mol
LogP6.53
Rot. Bonds12

About 5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol

5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol (PubChem CID 10983138) has the molecular formula C21H42O2Sn and a molecular weight of 445.28 g/mol. Its IUPAC name is 5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol.

Molecular Properties

Compound Name5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol
PubChem CID10983138
Molecular FormulaC21H42O2Sn
Molecular Weight445.28 g/mol
Exact Mass446.22
IUPAC Name5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol
SMILESC=CC1CC(C(C)[Sn](CCCC)(CCCC)CCCC)C(C)(O)O1
InChIInChI=1S/C9H15O2.3C4H9.Sn/c1-4-7-6-8(5-2)11-9(7,3)10;3*1-3-4-2;/h4-5,7-8,10H,2,6H2,1,3H3;3*1,3-4H2,2H3;
InChIKeyRFDCSZLDXQJPNK-UHFFFAOYSA-N
XLogP6.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.28
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol?
The IUPAC name of 5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol (CID 10983138) is 5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol.
What is the SMILES notation for 5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol?
The canonical SMILES for 5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol is C=CC1CC(C(C)[Sn](CCCC)(CCCC)CCCC)C(C)(O)O1.
What is the InChIKey of 5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol?
The InChIKey is RFDCSZLDXQJPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O2.3C4H9.Sn/c1-4-7-6-8(5-2)11-9(7,3)10;3*1-3-4-2;/h4-5,7-8,10H,2,6H2,1,3H3;3*1,3-4H2,2H3;.
What are the key properties of 5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol?
5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol has a molecular weight of 445.28 g/mol, XLogP of 6.53, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol is sourced from PubChem (CID 10983138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).