2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane

C12H23BrO2Si — CID 99771876

IUPAC2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCO[C@H]1C=C(Br)CCC1
InChIInChI=1S/C12H23BrO2Si/c1-16(2,3)8-7-14-10-15-12-6-4-5-11(13)9-12/h9,12H,4-8,10H2,1-3H3/t12-/m1/s1
InChIKeyGOSYILGWVIGRTQ-GFCCVEGCSA-N
MW307.30 g/mol
LogP4.15
Rot. Bonds6

About 2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane

2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 99771876) has the molecular formula C12H23BrO2Si and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID99771876
Molecular FormulaC12H23BrO2Si
Molecular Weight307.30 g/mol
Exact Mass306.07
IUPAC Name2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCO[C@H]1C=C(Br)CCC1
InChIInChI=1S/C12H23BrO2Si/c1-16(2,3)8-7-14-10-15-12-6-4-5-11(13)9-12/h9,12H,4-8,10H2,1-3H3/t12-/m1/s1
InChIKeyGOSYILGWVIGRTQ-GFCCVEGCSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane (CID 99771876) is 2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCO[C@H]1C=C(Br)CCC1.
What is the InChIKey of 2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is GOSYILGWVIGRTQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H23BrO2Si/c1-16(2,3)8-7-14-10-15-12-6-4-5-11(13)9-12/h9,12H,4-8,10H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 307.30 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-3-bromocyclohex-2-en-1-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 99771876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).