tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane

C29H58O4Si2 — CID 12692822

IUPACtert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC1=C[C@H](OC2CCCCO2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H58O4Si2/c1-28(2,3)34(7,8)31-21-16-13-11-12-14-18-24-22-25(32-27-19-15-17-20-30-27)23-26(24)33-35(9,10)29(4,5)6/h22,25-27H,11-21,23H2,1-10H3/t25-,26-,27?/m0/s1
InChIKeyRUCMXIACCFIBAI-TXIPYEPDSA-N
MW526.95 g/mol
LogP8.98
Rot. Bonds13

About tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 12692822) has the molecular formula C29H58O4Si2 and a molecular weight of 526.95 g/mol. Its IUPAC name is tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID12692822
Molecular FormulaC29H58O4Si2
Molecular Weight526.95 g/mol
Exact Mass526.39
IUPAC Nametert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC1=C[C@H](OC2CCCCO2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H58O4Si2/c1-28(2,3)34(7,8)31-21-16-13-11-12-14-18-24-22-25(32-27-19-15-17-20-30-27)23-26(24)33-35(9,10)29(4,5)6/h22,25-27H,11-21,23H2,1-10H3/t25-,26-,27?/m0/s1
InChIKeyRUCMXIACCFIBAI-TXIPYEPDSA-N
XLogP8.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.95
LogP ≤ 58.98
H-Bond Donors ≤ 50
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'}

Analyze tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane 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 tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane (CID 12692822) is tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCCCCC1=C[C@H](OC2CCCCO2)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is RUCMXIACCFIBAI-TXIPYEPDSA-N. The full InChI is InChI=1S/C29H58O4Si2/c1-28(2,3)34(7,8)31-21-16-13-11-12-14-18-24-22-25(32-27-19-15-17-20-30-27)23-26(24)33-35(9,10)29(4,5)6/h22,25-27H,11-21,23H2,1-10H3/t25-,26-,27?/m0/s1.
What are the key properties of tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 526.95 g/mol, XLogP of 8.98, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 12692822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).