(3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol

C27H56O2SiSn — CID 11295937

IUPAC(3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol
SMILESC=C([C@H](O)C/C(C)=C(/C)CO[Si](C)(C)C(C)(C)C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C15H29O2Si.3C4H9.Sn/c1-9-14(16)10-12(2)13(3)11-17-18(7,8)15(4,5)6;3*1-3-4-2;/h14,16H,1,10-11H2,2-8H3;3*1,3-4H2,2H3;/b13-12-;;;;/t14-;;;;/m0..../s1
InChIKeyJBDWRIJYAROOFL-VTKUFZEVSA-N
MW559.54 g/mol
LogP9.04
Rot. Bonds16

About (3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol

(3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol (PubChem CID 11295937) has the molecular formula C27H56O2SiSn and a molecular weight of 559.54 g/mol. Its IUPAC name is (3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol.

Molecular Properties

Compound Name(3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol
PubChem CID11295937
Molecular FormulaC27H56O2SiSn
Molecular Weight559.54 g/mol
Exact Mass560.31
IUPAC Name(3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol
SMILESC=C([C@H](O)C/C(C)=C(/C)CO[Si](C)(C)C(C)(C)C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C15H29O2Si.3C4H9.Sn/c1-9-14(16)10-12(2)13(3)11-17-18(7,8)15(4,5)6;3*1-3-4-2;/h14,16H,1,10-11H2,2-8H3;3*1,3-4H2,2H3;/b13-12-;;;;/t14-;;;;/m0..../s1
InChIKeyJBDWRIJYAROOFL-VTKUFZEVSA-N
XLogP9.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.54
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol?
The IUPAC name of (3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol (CID 11295937) is (3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol.
What is the SMILES notation for (3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol?
The canonical SMILES for (3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol is C=C([C@H](O)C/C(C)=C(/C)CO[Si](C)(C)C(C)(C)C)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol?
The InChIKey is JBDWRIJYAROOFL-VTKUFZEVSA-N. The full InChI is InChI=1S/C15H29O2Si.3C4H9.Sn/c1-9-14(16)10-12(2)13(3)11-17-18(7,8)15(4,5)6;3*1-3-4-2;/h14,16H,1,10-11H2,2-8H3;3*1,3-4H2,2H3;/b13-12-;;;;/t14-;;;;/m0..../s1.
What are the key properties of (3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol?
(3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol has a molecular weight of 559.54 g/mol, XLogP of 9.04, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol is sourced from PubChem (CID 11295937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).