(Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol

C26H40O3Si2 — CID 135074622

IUPAC(Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol
SMILESCC(C)(C)[Si](C)(C)OCC#CC#CC(O)/C=C\C#CC#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H40O3Si2/c1-25(2,3)30(7,8)28-22-18-14-12-11-13-16-20-24(27)21-17-15-19-23-29-31(9,10)26(4,5)6/h16,20,24,27H,18,22-23H2,1-10H3/b20-16-
InChIKeyMBSUPEJFPNIBQA-SILNSSARSA-N
MW456.78 g/mol
LogP5.35
Rot. Bonds6

About (Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol

(Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol (PubChem CID 135074622) has the molecular formula C26H40O3Si2 and a molecular weight of 456.78 g/mol. Its IUPAC name is (Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol.

Molecular Properties

Compound Name(Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol
PubChem CID135074622
Molecular FormulaC26H40O3Si2
Molecular Weight456.78 g/mol
Exact Mass456.25
IUPAC Name(Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol
SMILESCC(C)(C)[Si](C)(C)OCC#CC#CC(O)/C=C\C#CC#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H40O3Si2/c1-25(2,3)30(7,8)28-22-18-14-12-11-13-16-20-24(27)21-17-15-19-23-29-31(9,10)26(4,5)6/h16,20,24,27H,18,22-23H2,1-10H3/b20-16-
InChIKeyMBSUPEJFPNIBQA-SILNSSARSA-N
XLogP5.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.78
LogP ≤ 55.35
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'}

Analyze (Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol with MolForge

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Related Compounds

(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
1,8-cis-Undecadien-5-yne 3,7-bis-trimethylsilyl ether
CID 91696575
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol
CID 11355705
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
CID 11674197
(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
CID 25146570
(E,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
CID 101778807
(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
CID 102518304
(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-ol
CID 134864564
[(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane
CID 134865464
(6E,10E)-7,11,15-trimethyl-5-tri(propan-2-yl)silyloxyhexadeca-6,10,14-trien-2-yn-1-ol
CID 134875012

Frequently Asked Questions

What is the IUPAC name of (Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol?
The IUPAC name of (Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol (CID 135074622) is (Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol.
What is the SMILES notation for (Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol?
The canonical SMILES for (Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol is CC(C)(C)[Si](C)(C)OCC#CC#CC(O)/C=C\C#CC#CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol?
The InChIKey is MBSUPEJFPNIBQA-SILNSSARSA-N. The full InChI is InChI=1S/C26H40O3Si2/c1-25(2,3)30(7,8)28-22-18-14-12-11-13-16-20-24(27)21-17-15-19-23-29-31(9,10)26(4,5)6/h16,20,24,27H,18,22-23H2,1-10H3/b20-16-.
What are the key properties of (Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol?
(Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol has a molecular weight of 456.78 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol is sourced from PubChem (CID 135074622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).