(6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol

C22H42O3Si2 — CID 10993297

IUPAC(6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol
SMILESC#CC#CC(O)[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O3Si2/c1-12-13-16-19(23)20(25-27(10,11)22(5,6)7)17-14-15-18-24-26(8,9)21(2,3)4/h1,19-20,23H,14-15,17-18H2,2-11H3/t19?,20-/m0/s1
InChIKeyKOMJDQVAIIYZNW-ANYOKISRSA-N
MW410.75 g/mol
LogP5.57
Rot. Bonds9

About (6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol

(6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol (PubChem CID 10993297) has the molecular formula C22H42O3Si2 and a molecular weight of 410.75 g/mol. Its IUPAC name is (6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol.

Molecular Properties

Compound Name(6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol
PubChem CID10993297
Molecular FormulaC22H42O3Si2
Molecular Weight410.75 g/mol
Exact Mass410.27
IUPAC Name(6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol
SMILESC#CC#CC(O)[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O3Si2/c1-12-13-16-19(23)20(25-27(10,11)22(5,6)7)17-14-15-18-24-26(8,9)21(2,3)4/h1,19-20,23H,14-15,17-18H2,2-11H3/t19?,20-/m0/s1
InChIKeyKOMJDQVAIIYZNW-ANYOKISRSA-N
XLogP5.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.75
LogP ≤ 55.57
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol?
The IUPAC name of (6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol (CID 10993297) is (6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol.
What is the SMILES notation for (6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol?
The canonical SMILES for (6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol is C#CC#CC(O)[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol?
The InChIKey is KOMJDQVAIIYZNW-ANYOKISRSA-N. The full InChI is InChI=1S/C22H42O3Si2/c1-12-13-16-19(23)20(25-27(10,11)22(5,6)7)17-14-15-18-24-26(8,9)21(2,3)4/h1,19-20,23H,14-15,17-18H2,2-11H3/t19?,20-/m0/s1.
What are the key properties of (6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol?
(6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol has a molecular weight of 410.75 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol is sourced from PubChem (CID 10993297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).