(E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol

C31H68O3Si2Sn — CID 10699574

IUPAC(E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol
SMILESCCCC[Sn](/C=C/[C@@H](O)[C@H](CCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C19H41O3Si2.3C4H9.Sn/c1-12-16(20)17(22-24(10,11)19(5,6)7)14-13-15-21-23(8,9)18(2,3)4;3*1-3-4-2;/h1,12,16-17,20H,13-15H2,2-11H3;3*1,3-4H2,2H3;/t16-,17+;;;;/m1..../s1
InChIKeyBPPBPSJBTKCVOL-PNNYBRIFSA-N
MW663.76 g/mol
LogP10.48
Rot. Bonds19

About (E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol

(E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol (PubChem CID 10699574) has the molecular formula C31H68O3Si2Sn and a molecular weight of 663.76 g/mol. Its IUPAC name is (E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol.

Molecular Properties

Compound Name(E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol
PubChem CID10699574
Molecular FormulaC31H68O3Si2Sn
Molecular Weight663.76 g/mol
Exact Mass664.37
IUPAC Name(E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol
SMILESCCCC[Sn](/C=C/[C@@H](O)[C@H](CCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C19H41O3Si2.3C4H9.Sn/c1-12-16(20)17(22-24(10,11)19(5,6)7)14-13-15-21-23(8,9)18(2,3)4;3*1-3-4-2;/h1,12,16-17,20H,13-15H2,2-11H3;3*1,3-4H2,2H3;/t16-,17+;;;;/m1..../s1
InChIKeyBPPBPSJBTKCVOL-PNNYBRIFSA-N
XLogP10.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.76
LogP ≤ 510.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-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 (E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol?
The IUPAC name of (E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol (CID 10699574) is (E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol.
What is the SMILES notation for (E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol?
The canonical SMILES for (E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol is CCCC[Sn](/C=C/[C@@H](O)[C@H](CCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of (E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol?
The InChIKey is BPPBPSJBTKCVOL-PNNYBRIFSA-N. The full InChI is InChI=1S/C19H41O3Si2.3C4H9.Sn/c1-12-16(20)17(22-24(10,11)19(5,6)7)14-13-15-21-23(8,9)18(2,3)4;3*1-3-4-2;/h1,12,16-17,20H,13-15H2,2-11H3;3*1,3-4H2,2H3;/t16-,17+;;;;/m1..../s1.
What are the key properties of (E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol?
(E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol has a molecular weight of 663.76 g/mol, XLogP of 10.48, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,4S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-tributylstannylhept-1-en-3-ol is sourced from PubChem (CID 10699574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).