(1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol

C18H36O2Si — CID 10957954

IUPAC(1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol
SMILESCCCC[Si](CCCC)(CCCC)O[C@@H]1C=C[C@](C)(O)C1
InChIInChI=1S/C18H36O2Si/c1-5-8-13-21(14-9-6-2,15-10-7-3)20-17-11-12-18(4,19)16-17/h11-12,17,19H,5-10,13-16H2,1-4H3/t17-,18+/m1/s1
InChIKeyJQNGRMSEZHGINZ-MSOLQXFVSA-N
MW312.57 g/mol
LogP5.43
Rot. Bonds11

About (1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol

(1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol (PubChem CID 10957954) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol
PubChem CID10957954
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol
SMILESCCCC[Si](CCCC)(CCCC)O[C@@H]1C=C[C@](C)(O)C1
InChIInChI=1S/C18H36O2Si/c1-5-8-13-21(14-9-6-2,15-10-7-3)20-17-11-12-18(4,19)16-17/h11-12,17,19H,5-10,13-16H2,1-4H3/t17-,18+/m1/s1
InChIKeyJQNGRMSEZHGINZ-MSOLQXFVSA-N
XLogP5.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.43
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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Launch Full Analysis

Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol
CID 11345217
(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
CID 11381004
(E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol
CID 11709440
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol?
The IUPAC name of (1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol (CID 10957954) is (1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol?
The canonical SMILES for (1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol is CCCC[Si](CCCC)(CCCC)O[C@@H]1C=C[C@](C)(O)C1.
What is the InChIKey of (1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol?
The InChIKey is JQNGRMSEZHGINZ-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-5-8-13-21(14-9-6-2,15-10-7-3)20-17-11-12-18(4,19)16-17/h11-12,17,19H,5-10,13-16H2,1-4H3/t17-,18+/m1/s1.
What are the key properties of (1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol?
(1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol has a molecular weight of 312.57 g/mol, XLogP of 5.43, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol is sourced from PubChem (CID 10957954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).