2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol

C13H26O2Si — CID 67853975

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC1C=CCC1O
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-10-9-11-7-6-8-12(11)14/h6-7,11-12,14H,8-10H2,1-5H3
InChIKeyKNMQKEDIDHQVIG-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.34
Rot. Bonds4

About 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol

2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol (PubChem CID 67853975) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol
PubChem CID67853975
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC1C=CCC1O
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-10-9-11-7-6-8-12(11)14/h6-7,11-12,14H,8-10H2,1-5H3
InChIKeyKNMQKEDIDHQVIG-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
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

(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
Tert-butyl-(1-cyclopent-3-en-1-ylbut-3-enoxy)-dimethylsilane
CID 11666003
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021
(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-3-en-1-ol
CID 60170022
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
cis-(1S,2R)-2-[(Z)-2-trimethylsilylethenyl]cyclopentan-1-ol
CID 11344422
(E,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-2-en-4-ol
CID 11402685
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol (CID 67853975) is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol is CC(C)(C)[Si](C)(C)OCCC1C=CCC1O.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol?
The InChIKey is KNMQKEDIDHQVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-10-9-11-7-6-8-12(11)14/h6-7,11-12,14H,8-10H2,1-5H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol?
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol has a molecular weight of 242.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol is sourced from PubChem (CID 67853975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).