5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol

C29H35BrO2Si — CID 23079270

IUPAC5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol
SMILESCC(C)(C)[Si](OCCCCC1Cc2cc(Br)ccc2C1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35BrO2Si/c1-29(2,3)33(25-13-6-4-7-14-25,26-15-8-5-9-16-26)32-19-11-10-12-22-20-23-21-24(30)17-18-27(23)28(22)31/h4-9,13-18,21-22,28,31H,10-12,19-20H2,1-3H3
InChIKeyCBYRBOFCUQZHAQ-UHFFFAOYSA-N
MW523.59 g/mol
LogP6.40
Rot. Bonds8

About 5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol

5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 23079270) has the molecular formula C29H35BrO2Si and a molecular weight of 523.59 g/mol. Its IUPAC name is 5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID23079270
Molecular FormulaC29H35BrO2Si
Molecular Weight523.59 g/mol
Exact Mass522.16
IUPAC Name5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol
SMILESCC(C)(C)[Si](OCCCCC1Cc2cc(Br)ccc2C1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35BrO2Si/c1-29(2,3)33(25-13-6-4-7-14-25,26-15-8-5-9-16-26)32-19-11-10-12-22-20-23-21-24(30)17-18-27(23)28(22)31/h4-9,13-18,21-22,28,31H,10-12,19-20H2,1-3H3
InChIKeyCBYRBOFCUQZHAQ-UHFFFAOYSA-N
XLogP6.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.59
LogP ≤ 56.40
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'}

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Related Compounds

4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane
CID 69439190
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
(3R,4S)-1,1,3-tribromo-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-4-ol
CID 11828260
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
(3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol
CID 99865831
(3aS,4S,6aR)-4-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11167187

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol (CID 23079270) is 5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol is CC(C)(C)[Si](OCCCCC1Cc2cc(Br)ccc2C1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is CBYRBOFCUQZHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35BrO2Si/c1-29(2,3)33(25-13-6-4-7-14-25,26-15-8-5-9-16-26)32-19-11-10-12-22-20-23-21-24(30)17-18-27(23)28(22)31/h4-9,13-18,21-22,28,31H,10-12,19-20H2,1-3H3.
What are the key properties of 5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol?
5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 523.59 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 23079270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).