1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol

C14H27BrO2Si — CID 11709779

IUPAC1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol
SMILESCCC(O)C1=C(Br)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27BrO2Si/c1-7-11(16)13-10(15)8-9-12(13)17-18(5,6)14(2,3)4/h11-12,16H,7-9H2,1-6H3
InChIKeyZZUMISVIKLCQEL-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.59
Rot. Bonds4

About 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol

1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol (PubChem CID 11709779) has the molecular formula C14H27BrO2Si and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol
PubChem CID11709779
Molecular FormulaC14H27BrO2Si
Molecular Weight335.36 g/mol
Exact Mass334.10
IUPAC Name1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol
SMILESCCC(O)C1=C(Br)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27BrO2Si/c1-7-11(16)13-10(15)8-9-12(13)17-18(5,6)14(2,3)4/h11-12,16H,7-9H2,1-6H3
InChIKeyZZUMISVIKLCQEL-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Bromocyclopenten-1-yl)pentan-1-ol
CID 139238747
[5-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclopenten-1-yl]methanol
CID 11118241
3-Butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 54471676
(1R,4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 57268093
(4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 70535856
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-ol
CID 10243472
1-[2-Bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol
CID 10904265
(1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol
CID 11460862
1-[2-Bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethanol
CID 102184980
1-[2-Bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol
CID 102184981
(3-Bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 102184983
1-[3-[Tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]ethanol
CID 102184988

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol?
The IUPAC name of 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol (CID 11709779) is 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol.
What is the SMILES notation for 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol?
The canonical SMILES for 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol is CCC(O)C1=C(Br)CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol?
The InChIKey is ZZUMISVIKLCQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrO2Si/c1-7-11(16)13-10(15)8-9-12(13)17-18(5,6)14(2,3)4/h11-12,16H,7-9H2,1-6H3.
What are the key properties of 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol?
1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol has a molecular weight of 335.36 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol is sourced from PubChem (CID 11709779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).