(E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol

C25H50O2Si2 — CID 177269501

IUPAC(E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol
SMILESCCCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(O)/C=C/CCC#C[Si](C)(C)C
InChIInChI=1S/C25H50O2Si2/c1-11-12-15-19-25(27-29(21(2)3,22(4)5)23(6)7)24(26)18-16-13-14-17-20-28(8,9)10/h16,18,21-26H,11-15,19H2,1-10H3/b18-16+
InChIKeyBIYJOECTIAZYQI-FBMGVBCBSA-N
MW438.85 g/mol
LogP7.71
Rot. Bonds13

About (E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol

(E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol (PubChem CID 177269501) has the molecular formula C25H50O2Si2 and a molecular weight of 438.85 g/mol. Its IUPAC name is (E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol.

Molecular Properties

Compound Name(E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol
PubChem CID177269501
Molecular FormulaC25H50O2Si2
Molecular Weight438.85 g/mol
Exact Mass438.33
IUPAC Name(E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol
SMILESCCCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(O)/C=C/CCC#C[Si](C)(C)C
InChIInChI=1S/C25H50O2Si2/c1-11-12-15-19-25(27-29(21(2)3,22(4)5)23(6)7)24(26)18-16-13-14-17-20-28(8,9)10/h16,18,21-26H,11-15,19H2,1-10H3/b18-16+
InChIKeyBIYJOECTIAZYQI-FBMGVBCBSA-N
XLogP7.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.85
LogP ≤ 57.71
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 (E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol?
The IUPAC name of (E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol (CID 177269501) is (E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol.
What is the SMILES notation for (E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol?
The canonical SMILES for (E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol is CCCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(O)/C=C/CCC#C[Si](C)(C)C.
What is the InChIKey of (E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol?
The InChIKey is BIYJOECTIAZYQI-FBMGVBCBSA-N. The full InChI is InChI=1S/C25H50O2Si2/c1-11-12-15-19-25(27-29(21(2)3,22(4)5)23(6)7)24(26)18-16-13-14-17-20-28(8,9)10/h16,18,21-26H,11-15,19H2,1-10H3/b18-16+.
What are the key properties of (E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol?
(E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol has a molecular weight of 438.85 g/mol, XLogP of 7.71, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-trimethylsilyl-8-tri(propan-2-yl)silyloxytridec-5-en-1-yn-7-ol is sourced from PubChem (CID 177269501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).