[(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C26H44O4Si — CID 24777981

IUPAC[(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCCCCCCC/C=C\[C@@H](C#CC#C[C@@H]1OC(C)(C)O[C@H]1CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H44O4Si/c1-9-10-11-12-13-14-15-18-22(30-31(7,8)25(2,3)4)19-16-17-20-23-24(21-27)29-26(5,6)28-23/h15,18,22-24,27H,9-14,21H2,1-8H3/b18-15-/t22-,23-,24-/m0/s1
InChIKeyZFGIPVAXZQWAHS-XRVJWRQESA-N
MW448.72 g/mol
LogP5.81
Rot. Bonds10

About [(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 24777981) has the molecular formula C26H44O4Si and a molecular weight of 448.72 g/mol. Its IUPAC name is [(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID24777981
Molecular FormulaC26H44O4Si
Molecular Weight448.72 g/mol
Exact Mass448.30
IUPAC Name[(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCCCCCCC/C=C\[C@@H](C#CC#C[C@@H]1OC(C)(C)O[C@H]1CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H44O4Si/c1-9-10-11-12-13-14-15-18-22(30-31(7,8)25(2,3)4)19-16-17-20-23-24(21-27)29-26(5,6)28-23/h15,18,22-24,27H,9-14,21H2,1-8H3/b18-15-/t22-,23-,24-/m0/s1
InChIKeyZFGIPVAXZQWAHS-XRVJWRQESA-N
XLogP5.81
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.72
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol with MolForge

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Related Compounds

(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol
CID 5471932
[(4S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 134974568
(Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4-methylhex-2-en-1-ol
CID 58304496
(Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
CID 59100012
(E,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
CID 59100052
(Z,1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4-methylhex-2-en-1-ol
CID 89902110
(Z,1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4-methylhex-2-en-1-ol
CID 89902111
(1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
CID 91128689
(3aR,4S,9S,9aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-9-ol
CID 123678012
(3aR,4S,6Z,9S,9aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-9-ol
CID 140663270
(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-tetradec-1-enyl-1,3-dioxolan-4-yl]ethanol
CID 173524673
(3aR,6Z,9S,9aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-9-ol
CID 173808272

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 24777981) is [(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CCCCCCC/C=C\[C@@H](C#CC#C[C@@H]1OC(C)(C)O[C@H]1CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is ZFGIPVAXZQWAHS-XRVJWRQESA-N. The full InChI is InChI=1S/C26H44O4Si/c1-9-10-11-12-13-14-15-18-22(30-31(7,8)25(2,3)4)19-16-17-20-23-24(21-27)29-26(5,6)28-23/h15,18,22-24,27H,9-14,21H2,1-8H3/b18-15-/t22-,23-,24-/m0/s1.
What are the key properties of [(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 448.72 g/mol, XLogP of 5.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 24777981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).