2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane

C48H94BBrO4Si4 — CID 158198122

IUPAC2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=C(CBr)C(=O)C1.CCCCCC/C=C(/B(C)C)[Si](C)(C)C.CCCCCC/C=C(/CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O)[Si](C)(C)C
InChIInChI=1S/C23H44O2Si2.C13H29BSi.C12H21BrO2Si/c1-10-11-12-13-14-15-21(26(5,6)7)17-19-16-20(18-22(19)24)25-27(8,9)23(2,3)4;1-7-8-9-10-11-12-13(14(2)3)15(4,5)6;1-12(2,3)16(4,5)15-10-6-9(8-13)11(14)7-10/h15-16,20H,10-14,17-18H2,1-9H3;12H,7-11H2,1-6H3;6,10H,7-8H2,1-5H3/b21-15-;13-12-;
InChIKeyGAPARBAMWYSVQF-CIVCRLSPSA-N
MW938.34 g/mol
LogP16.17
Rot. Bonds20

About 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane

2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane (PubChem CID 158198122) has the molecular formula C48H94BBrO4Si4 and a molecular weight of 938.34 g/mol. Its IUPAC name is 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane
PubChem CID158198122
Molecular FormulaC48H94BBrO4Si4
Molecular Weight938.34 g/mol
Exact Mass936.55
IUPAC Name2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=C(CBr)C(=O)C1.CCCCCC/C=C(/B(C)C)[Si](C)(C)C.CCCCCC/C=C(/CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O)[Si](C)(C)C
InChIInChI=1S/C23H44O2Si2.C13H29BSi.C12H21BrO2Si/c1-10-11-12-13-14-15-21(26(5,6)7)17-19-16-20(18-22(19)24)25-27(8,9)23(2,3)4;1-7-8-9-10-11-12-13(14(2)3)15(4,5)6;1-12(2,3)16(4,5)15-10-6-9(8-13)11(14)7-10/h15-16,20H,10-14,17-18H2,1-9H3;12H,7-11H2,1-6H3;6,10H,7-8H2,1-5H3/b21-15-;13-12-;
InChIKeyGAPARBAMWYSVQF-CIVCRLSPSA-N
XLogP16.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.34
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

butyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
CID 11133051
methyl (E)-4-[3-[[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl]-3-trimethylsilyloxiran-2-yl]but-2-enoate;methyl (2E,5Z)-7-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-trimethylsilylhepta-2,5-dienoate
CID 157425651
(4R)-2-[(Z)-2-bromo-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]-4-methylcyclopent-2-en-1-one
CID 174150579
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium
CID 58637017
[(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate
CID 70589487
(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 10708674
[(Z)-7-[(3R)-3-acetyloxy-5-oxocyclopenten-1-yl]-6-bromohept-5-enyl] acetate
CID 170317056
[7-(3-acetyloxy-5-oxocyclopenten-1-yl)-6-bromohept-5-enyl] acetate
CID 170317059
ethyl 7-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]sulfanylheptanoate
CID 22827429
[(Z)-6-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]hex-4-enyl] trimethylsilylformate
CID 70573057
2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one
CID 139675795
(3S,4aR,8S,9aR,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(E)-non-1-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f]chromen-5-one
CID 10551865

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane?
The IUPAC name of 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane (CID 158198122) is 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane.
What is the SMILES notation for 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane?
The canonical SMILES for 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane is CC(C)(C)[Si](C)(C)OC1C=C(CBr)C(=O)C1.CCCCCC/C=C(/B(C)C)[Si](C)(C)C.CCCCCC/C=C(/CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O)[Si](C)(C)C.
What is the InChIKey of 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane?
The InChIKey is GAPARBAMWYSVQF-CIVCRLSPSA-N. The full InChI is InChI=1S/C23H44O2Si2.C13H29BSi.C12H21BrO2Si/c1-10-11-12-13-14-15-21(26(5,6)7)17-19-16-20(18-22(19)24)25-27(8,9)23(2,3)4;1-7-8-9-10-11-12-13(14(2)3)15(4,5)6;1-12(2,3)16(4,5)15-10-6-9(8-13)11(14)7-10/h15-16,20H,10-14,17-18H2,1-9H3;12H,7-11H2,1-6H3;6,10H,7-8H2,1-5H3/b21-15-;13-12-;.
What are the key properties of 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane?
2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane has a molecular weight of 938.34 g/mol, XLogP of 16.17, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane is sourced from PubChem (CID 158198122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).