(Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol

C31H56O2Si — CID 11179314

IUPAC(Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol
SMILESCCCCCCCC/C=C\CCCCCCCCC[C@@H](O)C#CC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H56O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-30(32)28-25-23-26-29-33-34(5,6)31(2,3)4/h14-15,30,32H,7-13,16-22,24,27,29H2,1-6H3/b15-14-/t30-/m1/s1
InChIKeyDUZBAKFQEJQOHI-QKLXQQGTSA-N
MW488.87 g/mol
LogP9.19
Rot. Bonds19

About (Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol

(Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol (PubChem CID 11179314) has the molecular formula C31H56O2Si and a molecular weight of 488.87 g/mol. Its IUPAC name is (Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol.

Molecular Properties

Compound Name(Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol
PubChem CID11179314
Molecular FormulaC31H56O2Si
Molecular Weight488.87 g/mol
Exact Mass488.40
IUPAC Name(Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol
SMILESCCCCCCCC/C=C\CCCCCCCCC[C@@H](O)C#CC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H56O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-30(32)28-25-23-26-29-33-34(5,6)31(2,3)4/h14-15,30,32H,7-13,16-22,24,27,29H2,1-6H3/b15-14-/t30-/m1/s1
InChIKeyDUZBAKFQEJQOHI-QKLXQQGTSA-N
XLogP9.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.87
LogP ≤ 59.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-tricos-16-en-2,4-diyne-1,6-diol
CID 162886871
(Z,6R)-tricos-16-en-2,4-diyne-1,6-diol
CID 23425024
(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
CID 100961334
(4S,13Z,16Z)-1-[tert-butyl(dimethyl)silyl]oxydocosa-13,16-dien-4-ol
CID 125481290
(E,3R)-1-trimethylsilyldocos-13-en-1-yn-3-ol
CID 102332031
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(Z)-tetradec-8-en-3-ynoxy]silane
CID 134841889
heptadec-16-en-4,6-diyn-8-ol
CID 162872076
1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641

Frequently Asked Questions

What is the IUPAC name of (Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol?
The IUPAC name of (Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol (CID 11179314) is (Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol.
What is the SMILES notation for (Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol?
The canonical SMILES for (Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol is CCCCCCCC/C=C\CCCCCCCCC[C@@H](O)C#CC#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol?
The InChIKey is DUZBAKFQEJQOHI-QKLXQQGTSA-N. The full InChI is InChI=1S/C31H56O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-30(32)28-25-23-26-29-33-34(5,6)31(2,3)4/h14-15,30,32H,7-13,16-22,24,27,29H2,1-6H3/b15-14-/t30-/m1/s1.
What are the key properties of (Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol?
(Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol has a molecular weight of 488.87 g/mol, XLogP of 9.19, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol is sourced from PubChem (CID 11179314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).