4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol

C30H54O3Si2 — CID 142626651

IUPAC4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1=CC(C[Si](C)(O[Si](C)(CC2C=C(CC=C)C(C)(O)C2)C(C)(C)C)C(C)(C)C)CC1(C)O
InChIInChI=1S/C30H54O3Si2/c1-13-15-25-17-23(19-29(25,9)31)21-34(11,27(3,4)5)33-35(12,28(6,7)8)22-24-18-26(16-14-2)30(10,32)20-24/h13-14,17-18,23-24,31-32H,1-2,15-16,19-22H2,3-12H3
InChIKeyNQICPUQOXIITIR-UHFFFAOYSA-N
MW518.93 g/mol
LogP8.30
Rot. Bonds10

About 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol

4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol (PubChem CID 142626651) has the molecular formula C30H54O3Si2 and a molecular weight of 518.93 g/mol. Its IUPAC name is 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol
PubChem CID142626651
Molecular FormulaC30H54O3Si2
Molecular Weight518.93 g/mol
Exact Mass518.36
IUPAC Name4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1=CC(C[Si](C)(O[Si](C)(CC2C=C(CC=C)C(C)(O)C2)C(C)(C)C)C(C)(C)C)CC1(C)O
InChIInChI=1S/C30H54O3Si2/c1-13-15-25-17-23(19-29(25,9)31)21-34(11,27(3,4)5)33-35(12,28(6,7)8)22-24-18-26(16-14-2)30(10,32)20-24/h13-14,17-18,23-24,31-32H,1-2,15-16,19-22H2,3-12H3
InChIKeyNQICPUQOXIITIR-UHFFFAOYSA-N
XLogP8.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.93
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-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 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol?
The IUPAC name of 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol (CID 142626651) is 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol.
What is the SMILES notation for 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol?
The canonical SMILES for 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol is C=CCC1=CC(C[Si](C)(O[Si](C)(CC2C=C(CC=C)C(C)(O)C2)C(C)(C)C)C(C)(C)C)CC1(C)O.
What is the InChIKey of 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol?
The InChIKey is NQICPUQOXIITIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O3Si2/c1-13-15-25-17-23(19-29(25,9)31)21-34(11,27(3,4)5)33-35(12,28(6,7)8)22-24-18-26(16-14-2)30(10,32)20-24/h13-14,17-18,23-24,31-32H,1-2,15-16,19-22H2,3-12H3.
What are the key properties of 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol?
4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol has a molecular weight of 518.93 g/mol, XLogP of 8.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol is sourced from PubChem (CID 142626651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).