[(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane

C19H37BrOSi — CID 11452085

IUPAC[(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@]1(C)C(CBr)=CCC[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C19H37BrOSi/c1-14(2)22(15(3)4,16(5)6)21-13-19(8)17(7)10-9-11-18(19)12-20/h11,14-17H,9-10,12-13H2,1-8H3/t17-,19+/m0/s1
InChIKeyXEOJKWVIYGTCAG-PKOBYXMFSA-N
MW389.49 g/mol
LogP6.94
Rot. Bonds7

About [(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane

[(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 11452085) has the molecular formula C19H37BrOSi and a molecular weight of 389.49 g/mol. Its IUPAC name is [(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane
PubChem CID11452085
Molecular FormulaC19H37BrOSi
Molecular Weight389.49 g/mol
Exact Mass388.18
IUPAC Name[(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@]1(C)C(CBr)=CCC[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C19H37BrOSi/c1-14(2)22(15(3)4,16(5)6)21-13-19(8)17(7)10-9-11-18(19)12-20/h11,14-17H,9-10,12-13H2,1-8H3/t17-,19+/m0/s1
InChIKeyXEOJKWVIYGTCAG-PKOBYXMFSA-N
XLogP6.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.49
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane
CID 11092087
[3,4-Di(t-butyldimethylsilyloxymethyl)cyclopent-1-en-1-yl]methyl bromide
CID 54350482
[3-(Bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane
CID 142633715
tert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane
CID 10914679
[(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane
CID 11110873
[(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 11186295
[(1R,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 101736809
tert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane
CID 102588862
tert-butyl-dimethyl-[[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methoxy]silane
CID 132558836
tert-butyl-dimethyl-[[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methoxy]silane
CID 132558837
[(1S,5R)-5-bromo-2,6,6-trimethylcyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
CID 177583518

Frequently Asked Questions

What is the IUPAC name of [(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane (CID 11452085) is [(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OC[C@@]1(C)C(CBr)=CCC[C@@H]1C)(C(C)C)C(C)C.
What is the InChIKey of [(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is XEOJKWVIYGTCAG-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H37BrOSi/c1-14(2)22(15(3)4,16(5)6)21-13-19(8)17(7)10-9-11-18(19)12-20/h11,14-17H,9-10,12-13H2,1-8H3/t17-,19+/m0/s1.
What are the key properties of [(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane?
[(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 389.49 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11452085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).