[[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane

C19H31BrOSi — CID 123362857

IUPAC[[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane
SMILES[2H]C([2H])(O[Si](C(C)C)(C(C)C)C(C)C)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C19H31BrOSi/c1-14(2)22(15(3)4,16(5)6)21-13-19(10-11-19)17-8-7-9-18(20)12-17/h7-9,12,14-16H,10-11,13H2,1-6H3/i13D2
InChIKeyOPLVFRWXRYXDQP-KLTYLHELSA-N
MW385.46 g/mol
LogP6.67
Rot. Bonds7

About [[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane

[[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane (PubChem CID 123362857) has the molecular formula C19H31BrOSi and a molecular weight of 385.46 g/mol. Its IUPAC name is [[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane
PubChem CID123362857
Molecular FormulaC19H31BrOSi
Molecular Weight385.46 g/mol
Exact Mass384.15
IUPAC Name[[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane
SMILES[2H]C([2H])(O[Si](C(C)C)(C(C)C)C(C)C)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C19H31BrOSi/c1-14(2)22(15(3)4,16(5)6)21-13-19(10-11-19)17-8-7-9-18(20)12-17/h7-9,12,14-16H,10-11,13H2,1-6H3/i13D2
InChIKeyOPLVFRWXRYXDQP-KLTYLHELSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 56.67
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

3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde
CID 123407080
1-bromo-3-[1-(methylsulfanylmethyl)cyclopropyl]benzene
CID 115047980
1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene
CID 169228109
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine
CID 115051899
1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene
CID 115047487
O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine
CID 83693924
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine
CID 111812092
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862
3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol
CID 115052156
1-bromo-3-[1-(isocyanatomethyl)cyclopropyl]benzene
CID 82087865
1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine
CID 63512242
1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride
CID 175203393

Frequently Asked Questions

What is the IUPAC name of [[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane?
The IUPAC name of [[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane (CID 123362857) is [[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane is [2H]C([2H])(O[Si](C(C)C)(C(C)C)C(C)C)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of [[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane?
The InChIKey is OPLVFRWXRYXDQP-KLTYLHELSA-N. The full InChI is InChI=1S/C19H31BrOSi/c1-14(2)22(15(3)4,16(5)6)21-13-19(10-11-19)17-8-7-9-18(20)12-17/h7-9,12,14-16H,10-11,13H2,1-6H3/i13D2.
What are the key properties of [[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane?
[[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane has a molecular weight of 385.46 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 123362857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).