(4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol

C30H54O2Si2 — CID 102005752

IUPAC(4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol
SMILESC=CC[C@@](O)(C#C[Si](C(C)C)(C(C)C)C(C)C)[C@](O)(C#C[Si](C(C)C)(C(C)C)C(C)C)CC=C
InChIInChI=1S/C30H54O2Si2/c1-15-17-29(31,19-21-33(23(3)4,24(5)6)25(7)8)30(32,18-16-2)20-22-34(26(9)10,27(11)12)28(13)14/h15-16,23-28,31-32H,1-2,17-18H2,3-14H3/t29-,30-/m1/s1
InChIKeyUCZRWEZRQBQKCG-LOYHVIPDSA-N
MW502.93 g/mol
LogP8.04
Rot. Bonds11

About (4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol

(4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol (PubChem CID 102005752) has the molecular formula C30H54O2Si2 and a molecular weight of 502.93 g/mol. Its IUPAC name is (4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol.

Molecular Properties

Compound Name(4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol
PubChem CID102005752
Molecular FormulaC30H54O2Si2
Molecular Weight502.93 g/mol
Exact Mass502.37
IUPAC Name(4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol
SMILESC=CC[C@@](O)(C#C[Si](C(C)C)(C(C)C)C(C)C)[C@](O)(C#C[Si](C(C)C)(C(C)C)C(C)C)CC=C
InChIInChI=1S/C30H54O2Si2/c1-15-17-29(31,19-21-33(23(3)4,24(5)6)25(7)8)30(32,18-16-2)20-22-34(26(9)10,27(11)12)28(13)14/h15-16,23-28,31-32H,1-2,17-18H2,3-14H3/t29-,30-/m1/s1
InChIKeyUCZRWEZRQBQKCG-LOYHVIPDSA-N
XLogP8.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.93
LogP ≤ 58.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol 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 (4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol?
The IUPAC name of (4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol (CID 102005752) is (4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol.
What is the SMILES notation for (4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol?
The canonical SMILES for (4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol is C=CC[C@@](O)(C#C[Si](C(C)C)(C(C)C)C(C)C)[C@](O)(C#C[Si](C(C)C)(C(C)C)C(C)C)CC=C.
What is the InChIKey of (4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol?
The InChIKey is UCZRWEZRQBQKCG-LOYHVIPDSA-N. The full InChI is InChI=1S/C30H54O2Si2/c1-15-17-29(31,19-21-33(23(3)4,24(5)6)25(7)8)30(32,18-16-2)20-22-34(26(9)10,27(11)12)28(13)14/h15-16,23-28,31-32H,1-2,17-18H2,3-14H3/t29-,30-/m1/s1.
What are the key properties of (4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol?
(4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol has a molecular weight of 502.93 g/mol, XLogP of 8.04, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol is sourced from PubChem (CID 102005752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).