[(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane

C20H35BrO2Si — CID 101096078

IUPAC[(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)=C1CC[C@H]([C@H]2CC/C(=C\Br)CO2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H35BrO2Si/c1-14(2)16-9-10-17(18-11-8-15(12-21)13-22-18)19(16)23-24(6,7)20(3,4)5/h12,17-19H,8-11,13H2,1-7H3/b15-12+/t17-,18-,19+/m1/s1
InChIKeyRVTIPWTUHVGBET-YJKLHDBZSA-N
MW415.49 g/mol
LogP6.58
Rot. Bonds3

About [(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane

[(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane (PubChem CID 101096078) has the molecular formula C20H35BrO2Si and a molecular weight of 415.49 g/mol. Its IUPAC name is [(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane
PubChem CID101096078
Molecular FormulaC20H35BrO2Si
Molecular Weight415.49 g/mol
Exact Mass414.16
IUPAC Name[(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)=C1CC[C@H]([C@H]2CC/C(=C\Br)CO2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H35BrO2Si/c1-14(2)16-9-10-17(18-11-8-15(12-21)13-22-18)19(16)23-24(6,7)20(3,4)5/h12,17-19H,8-11,13H2,1-7H3/b15-12+/t17-,18-,19+/m1/s1
InChIKeyRVTIPWTUHVGBET-YJKLHDBZSA-N
XLogP6.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 134883618
2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
CID 11407428
2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
CID 68712387
[(1S,2R,5S)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane
CID 10693888
[(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane
CID 11464555
(2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol
CID 101096077

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane (CID 101096078) is [(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane is CC(C)=C1CC[C@H]([C@H]2CC/C(=C\Br)CO2)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is RVTIPWTUHVGBET-YJKLHDBZSA-N. The full InChI is InChI=1S/C20H35BrO2Si/c1-14(2)16-9-10-17(18-11-8-15(12-21)13-22-18)19(16)23-24(6,7)20(3,4)5/h12,17-19H,8-11,13H2,1-7H3/b15-12+/t17-,18-,19+/m1/s1.
What are the key properties of [(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane?
[(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 415.49 g/mol, XLogP of 6.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(2R,5E)-5-(bromomethylidene)oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101096078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).