(E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-ol

C31H68O3Si2Sn — CID 10651995

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

About (E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-ol

(E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-ol (PubChem CID 10651995) has the molecular formula C31H68O3Si2Sn and a molecular weight of 663.76 g/mol. Its IUPAC name is (E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-ol.

Molecular Properties

Compound Name(E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-ol
PubChem CID10651995
Molecular FormulaC31H68O3Si2Sn
Molecular Weight663.76 g/mol
Exact Mass664.37
IUPAC Name(E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-ol
SMILESCCCC[Sn](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCO)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C19H41O3Si2.3C4H9.Sn/c1-12-16(21-23(8,9)18(2,3)4)17(14-13-15-20)22-24(10,11)19(5,6)7;3*1-3-4-2;/h1,12,16-17,20H,13-15H2,2-11H3;3*1,3-4H2,2H3;/t16-,17+;;;;/m1..../s1
InChIKeyLZESYDYNDVVMGW-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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-ol?
The IUPAC name of (E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-ol (CID 10651995) is (E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-ol.
What is the SMILES notation for (E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-ol?
The canonical SMILES for (E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-ol is CCCC[Sn](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCO)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of (E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-ol?
The InChIKey is LZESYDYNDVVMGW-PNNYBRIFSA-N. The full InChI is InChI=1S/C19H41O3Si2.3C4H9.Sn/c1-12-16(21-23(8,9)18(2,3)4)17(14-13-15-20)22-24(10,11)19(5,6)7;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,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-ol?
(E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-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,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-tributylstannylhept-6-en-1-ol is sourced from PubChem (CID 10651995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).