(1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol

C23H30OSi — CID 101370975

IUPAC(1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol
SMILESC=C([C@@H](C1CCCC1)[C@H](O)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H30OSi/c1-18(25(2,3)21-16-8-5-9-17-21)22(19-12-10-11-13-19)23(24)20-14-6-4-7-15-20/h4-9,14-17,19,22-24H,1,10-13H2,2-3H3/t22-,23+/m0/s1
InChIKeyJPWGOXSQPWIZSV-XZOQPEGZSA-N
MW350.58 g/mol
LogP5.24
Rot. Bonds6

About (1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol

(1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol (PubChem CID 101370975) has the molecular formula C23H30OSi and a molecular weight of 350.58 g/mol. Its IUPAC name is (1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol
PubChem CID101370975
Molecular FormulaC23H30OSi
Molecular Weight350.58 g/mol
Exact Mass350.21
IUPAC Name(1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol
SMILESC=C([C@@H](C1CCCC1)[C@H](O)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H30OSi/c1-18(25(2,3)21-16-8-5-9-17-21)22(19-12-10-11-13-19)23(24)20-14-6-4-7-15-20/h4-9,14-17,19,22-24H,1,10-13H2,2-3H3/t22-,23+/m0/s1
InChIKeyJPWGOXSQPWIZSV-XZOQPEGZSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
(R)-cycloheptyl(phenyl)methanol
CID 94502427
(1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol
CID 10857402
methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane
CID 162170584
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
cyclopentyl-dimethyl-phenylsilane
CID 59962320
(1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol
CID 10540298

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol?
The IUPAC name of (1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol (CID 101370975) is (1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol?
The canonical SMILES for (1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol is C=C([C@@H](C1CCCC1)[C@H](O)c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of (1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol?
The InChIKey is JPWGOXSQPWIZSV-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H30OSi/c1-18(25(2,3)21-16-8-5-9-17-21)22(19-12-10-11-13-19)23(24)20-14-6-4-7-15-20/h4-9,14-17,19,22-24H,1,10-13H2,2-3H3/t22-,23+/m0/s1.
What are the key properties of (1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol?
(1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol has a molecular weight of 350.58 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-cyclopentyl-3-[dimethyl(phenyl)silyl]-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 101370975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).