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

C16H29BrO2Si — CID 102184982

IUPAC1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(Br)=C1C1(O)CCCC1
InChIInChI=1S/C16H29BrO2Si/c1-15(2,3)20(4,5)19-13-9-8-12(17)14(13)16(18)10-6-7-11-16/h13,18H,6-11H2,1-5H3
InChIKeyFUJDQXFIHWNORQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.12
Rot. Bonds3

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

1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]cyclopentan-1-ol (PubChem CID 102184982) has the molecular formula C16H29BrO2Si and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]cyclopentan-1-ol
PubChem CID102184982
Molecular FormulaC16H29BrO2Si
Molecular Weight361.40 g/mol
Exact Mass360.11
IUPAC Name1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(Br)=C1C1(O)CCCC1
InChIInChI=1S/C16H29BrO2Si/c1-15(2,3)20(4,5)19-13-9-8-12(17)14(13)16(18)10-6-7-11-16/h13,18H,6-11H2,1-5H3
InChIKeyFUJDQXFIHWNORQ-UHFFFAOYSA-N
XLogP5.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]cyclopentan-1-ol?
The IUPAC name of 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]cyclopentan-1-ol (CID 102184982) is 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]cyclopentan-1-ol is CC(C)(C)[Si](C)(C)OC1CCC(Br)=C1C1(O)CCCC1.
What is the InChIKey of 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]cyclopentan-1-ol?
The InChIKey is FUJDQXFIHWNORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BrO2Si/c1-15(2,3)20(4,5)19-13-9-8-12(17)14(13)16(18)10-6-7-11-16/h13,18H,6-11H2,1-5H3.
What are the key properties of 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]cyclopentan-1-ol?
1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]cyclopentan-1-ol has a molecular weight of 361.40 g/mol, XLogP of 5.12, 3 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]cyclopentan-1-ol is sourced from PubChem (CID 102184982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).