(5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol

C19H38O2Sn — CID 23729859

IUPAC(5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol
SMILESCCCC[Sn](/C=C/[C@]1(C)CCC(O)O1)(CCCC)CCCC
InChIInChI=1S/C7H11O2.3C4H9.Sn/c1-3-7(2)5-4-6(8)9-7;3*1-3-4-2;/h1,3,6,8H,4-5H2,2H3;3*1,3-4H2,2H3;/t6?,7-;;;;/m1..../s1
InChIKeyQGSZXQHUQNKFGR-DTCZNYSDSA-N
MW417.22 g/mol
LogP5.82
Rot. Bonds11

About (5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol

(5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol (PubChem CID 23729859) has the molecular formula C19H38O2Sn and a molecular weight of 417.22 g/mol. Its IUPAC name is (5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol.

Molecular Properties

Compound Name(5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol
PubChem CID23729859
Molecular FormulaC19H38O2Sn
Molecular Weight417.22 g/mol
Exact Mass418.19
IUPAC Name(5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol
SMILESCCCC[Sn](/C=C/[C@]1(C)CCC(O)O1)(CCCC)CCCC
InChIInChI=1S/C7H11O2.3C4H9.Sn/c1-3-7(2)5-4-6(8)9-7;3*1-3-4-2;/h1,3,6,8H,4-5H2,2H3;3*1,3-4H2,2H3;/t6?,7-;;;;/m1..../s1
InChIKeyQGSZXQHUQNKFGR-DTCZNYSDSA-N
XLogP5.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.22
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol?
The IUPAC name of (5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol (CID 23729859) is (5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol.
What is the SMILES notation for (5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol?
The canonical SMILES for (5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol is CCCC[Sn](/C=C/[C@]1(C)CCC(O)O1)(CCCC)CCCC.
What is the InChIKey of (5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol?
The InChIKey is QGSZXQHUQNKFGR-DTCZNYSDSA-N. The full InChI is InChI=1S/C7H11O2.3C4H9.Sn/c1-3-7(2)5-4-6(8)9-7;3*1-3-4-2;/h1,3,6,8H,4-5H2,2H3;3*1,3-4H2,2H3;/t6?,7-;;;;/m1..../s1.
What are the key properties of (5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol?
(5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol has a molecular weight of 417.22 g/mol, XLogP of 5.82, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[(E)-2-tributylstannylethenyl]oxolan-2-ol is sourced from PubChem (CID 23729859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).