(3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane

C14H25BrOSi — CID 102184984

IUPAC(3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESC=CCC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H25BrOSi/c1-7-8-11-12(15)9-10-13(11)16-17(5,6)14(2,3)4/h7,13H,1,8-10H2,2-6H3
InChIKeyLQOCPVHOPQHSFU-UHFFFAOYSA-N
MW317.34 g/mol
LogP5.40
Rot. Bonds4

About (3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane

(3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 102184984) has the molecular formula C14H25BrOSi and a molecular weight of 317.34 g/mol. Its IUPAC name is (3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID102184984
Molecular FormulaC14H25BrOSi
Molecular Weight317.34 g/mol
Exact Mass316.09
IUPAC Name(3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESC=CCC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H25BrOSi/c1-7-8-11-12(15)9-10-13(11)16-17(5,6)14(2,3)4/h7,13H,1,8-10H2,2-6H3
InChIKeyLQOCPVHOPQHSFU-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.34
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Tert-butyl-dimethyl-(2-methylcyclopent-2-en-1-yl)oxysilane
CID 14161623
tert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane
CID 88924821
triethyl-[(1S)-2-methylcyclopent-2-en-1-yl]oxysilane
CID 10867611
triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane
CID 11139703
[(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 11152147
[1-(Bromocyclohexylidenemethyl)allyloxy]trimethylsilane
CID 552655
(3-Bromo-2-methylcyclopent-2-enyloxy)(t-butyldimethylsilane)
CID 554538
Silane, [(3-bromo-2-methyl-2-cyclopentenyl)oxy](triethyl)
CID 568569
(2-Bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 121003722
(2-Bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 15343801
tert-Butyl(dimethyl){[(1R)-2-methylcyclopent-2-en-1-yl]oxy}silane
CID 45097314
[3-(Bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 59262414

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane (CID 102184984) is (3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane is C=CCC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is LQOCPVHOPQHSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrOSi/c1-7-8-11-12(15)9-10-13(11)16-17(5,6)14(2,3)4/h7,13H,1,8-10H2,2-6H3.
What are the key properties of (3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
(3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 317.34 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102184984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).