(6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane

C19H29BrOSi — CID 163676160

IUPAC(6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1C=c2ccc(Br)cc2=CC1)(C(C)C)C(C)C
InChIInChI=1S/C19H29BrOSi/c1-13(2)22(14(3)4,15(5)6)21-19-10-8-16-11-18(20)9-7-17(16)12-19/h7-9,11-15,19H,10H2,1-6H3
InChIKeyJGXBFAQICADQKF-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.97
Rot. Bonds5

About (6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane

(6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane (PubChem CID 163676160) has the molecular formula C19H29BrOSi and a molecular weight of 381.43 g/mol. Its IUPAC name is (6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
PubChem CID163676160
Molecular FormulaC19H29BrOSi
Molecular Weight381.43 g/mol
Exact Mass380.12
IUPAC Name(6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1C=c2ccc(Br)cc2=CC1)(C(C)C)C(C)C
InChIInChI=1S/C19H29BrOSi/c1-13(2)22(14(3)4,15(5)6)21-19-10-8-16-11-18(20)9-7-17(16)12-19/h7-9,11-15,19H,10H2,1-6H3
InChIKeyJGXBFAQICADQKF-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 11152147
[(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane
CID 164668977
[(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane
CID 164671391
[(1R,6R)-3-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 11683179
[(1R,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 16105055
(6-Bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane
CID 151749783
[(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane
CID 11696431
[(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 11796351
6-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline
CID 12112764
[(1S,6R)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 16105069

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane (CID 163676160) is (6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane is CC(C)[Si](OC1C=c2ccc(Br)cc2=CC1)(C(C)C)C(C)C.
What is the InChIKey of (6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is JGXBFAQICADQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrOSi/c1-13(2)22(14(3)4,15(5)6)21-19-10-8-16-11-18(20)9-7-17(16)12-19/h7-9,11-15,19H,10H2,1-6H3.
What are the key properties of (6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
(6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 381.43 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 163676160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).