(Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol

C22H44O3Si2 — CID 11058731

IUPAC(Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol
SMILESC#CC(O)/C=C\[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O3Si2/c1-12-19(23)16-17-20(25-27(10,11)22(5,6)7)15-13-14-18-24-26(8,9)21(2,3)4/h1,16-17,19-20,23H,13-15,18H2,2-11H3/b17-16-/t19?,20-/m0/s1
InChIKeyAFORZOULKWOEPO-RYMXYJDFSA-N
MW412.76 g/mol
LogP6.12
Rot. Bonds10

About (Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol

(Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol (PubChem CID 11058731) has the molecular formula C22H44O3Si2 and a molecular weight of 412.76 g/mol. Its IUPAC name is (Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol.

Molecular Properties

Compound Name(Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol
PubChem CID11058731
Molecular FormulaC22H44O3Si2
Molecular Weight412.76 g/mol
Exact Mass412.28
IUPAC Name(Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol
SMILESC#CC(O)/C=C\[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O3Si2/c1-12-19(23)16-17-20(25-27(10,11)22(5,6)7)15-13-14-18-24-26(8,9)21(2,3)4/h1,16-17,19-20,23H,13-15,18H2,2-11H3/b17-16-/t19?,20-/m0/s1
InChIKeyAFORZOULKWOEPO-RYMXYJDFSA-N
XLogP6.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.76
LogP ≤ 56.12
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane
CID 44604041
(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol
CID 134837176
(2E,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxyheptadeca-2,9-dien-4,6-diyn-1-ol
CID 134974572
(E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 138981962
(Z,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol
CID 146161559
(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-yn-1-ol
CID 146161676
(E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol
CID 146162519
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-yn-1-ol
CID 146162520
(5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol
CID 58461666
(6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol
CID 123175905
tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane
CID 141158620
(E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol
CID 178072149

Frequently Asked Questions

What is the IUPAC name of (Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol?
The IUPAC name of (Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol (CID 11058731) is (Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol.
What is the SMILES notation for (Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol?
The canonical SMILES for (Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol is C#CC(O)/C=C\[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol?
The InChIKey is AFORZOULKWOEPO-RYMXYJDFSA-N. The full InChI is InChI=1S/C22H44O3Si2/c1-12-19(23)16-17-20(25-27(10,11)22(5,6)7)15-13-14-18-24-26(8,9)21(2,3)4/h1,16-17,19-20,23H,13-15,18H2,2-11H3/b17-16-/t19?,20-/m0/s1.
What are the key properties of (Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol?
(Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol has a molecular weight of 412.76 g/mol, XLogP of 6.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol is sourced from PubChem (CID 11058731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).