3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane

C23H39BrOSi — CID 23518554

IUPAC3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane
SMILESCC1(C)CCC(C)(C)c2cc(CCCO[Si](C)(C)C(C)(C)C)c(Br)cc21
InChIInChI=1S/C23H39BrOSi/c1-21(2,3)26(8,9)25-14-10-11-17-15-18-19(16-20(17)24)23(6,7)13-12-22(18,4)5/h15-16H,10-14H2,1-9H3
InChIKeyWDWHWYOZFIBXRW-UHFFFAOYSA-N
MW439.55 g/mol
LogP7.75
Rot. Bonds5

About 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane

3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane (PubChem CID 23518554) has the molecular formula C23H39BrOSi and a molecular weight of 439.55 g/mol. Its IUPAC name is 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane
PubChem CID23518554
Molecular FormulaC23H39BrOSi
Molecular Weight439.55 g/mol
Exact Mass438.20
IUPAC Name3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane
SMILESCC1(C)CCC(C)(C)c2cc(CCCO[Si](C)(C)C(C)(C)C)c(Br)cc21
InChIInChI=1S/C23H39BrOSi/c1-21(2,3)26(8,9)25-14-10-11-17-15-18-19(16-20(17)24)23(6,7)13-12-22(18,4)5/h15-16H,10-14H2,1-9H3
InChIKeyWDWHWYOZFIBXRW-UHFFFAOYSA-N
XLogP7.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.55
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[6-Bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane
CID 135051016
[6-Bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane
CID 135051220
Silane, [(6-bromo-2-naphthalenyl)methoxy](1,1-dimethylethyl)dimethyl-
CID 13473071
CID 18796144
CID 18796144
CID 19826521
CID 19826521
[(Z)-2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane
CID 19920547
[(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane
CID 19920678
3-(3-Bromo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 23498867
[2-(3-Bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)hexa-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 53743373
[2-(3-Bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane
CID 54060703
3-(8-Bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane
CID 54076439
[2-(3-Bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane
CID 54253173

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane?
The IUPAC name of 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane (CID 23518554) is 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane is CC1(C)CCC(C)(C)c2cc(CCCO[Si](C)(C)C(C)(C)C)c(Br)cc21.
What is the InChIKey of 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane?
The InChIKey is WDWHWYOZFIBXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39BrOSi/c1-21(2,3)26(8,9)25-14-10-11-17-15-18-19(16-20(17)24)23(6,7)13-12-22(18,4)5/h15-16H,10-14H2,1-9H3.
What are the key properties of 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane?
3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane has a molecular weight of 439.55 g/mol, XLogP of 7.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 23518554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).