(1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol

C20H24Cl2OSi — CID 161425517

IUPAC(1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol
SMILESC[Si](C[C@@H](O)C1CCCC1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24Cl2OSi/c1-24(18-10-6-16(21)7-11-18,19-12-8-17(22)9-13-19)14-20(23)15-4-2-3-5-15/h6-13,15,20,23H,2-5,14H2,1H3/t20-/m1/s1
InChIKeyVXHPASRKCFNYGX-HXUWFJFHSA-N
MW379.40 g/mol
LogP4.74
Rot. Bonds5

About (1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol

(1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol (PubChem CID 161425517) has the molecular formula C20H24Cl2OSi and a molecular weight of 379.40 g/mol. Its IUPAC name is (1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol.

Molecular Properties

Compound Name(1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol
PubChem CID161425517
Molecular FormulaC20H24Cl2OSi
Molecular Weight379.40 g/mol
Exact Mass378.10
IUPAC Name(1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol
SMILESC[Si](C[C@@H](O)C1CCCC1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24Cl2OSi/c1-24(18-10-6-16(21)7-11-18,19-12-8-17(22)9-13-19)14-20(23)15-4-2-3-5-15/h6-13,15,20,23H,2-5,14H2,1H3/t20-/m1/s1
InChIKeyVXHPASRKCFNYGX-HXUWFJFHSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol?
The IUPAC name of (1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol (CID 161425517) is (1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol.
What is the SMILES notation for (1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol?
The canonical SMILES for (1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol is C[Si](C[C@@H](O)C1CCCC1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol?
The InChIKey is VXHPASRKCFNYGX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24Cl2OSi/c1-24(18-10-6-16(21)7-11-18,19-12-8-17(22)9-13-19)14-20(23)15-4-2-3-5-15/h6-13,15,20,23H,2-5,14H2,1H3/t20-/m1/s1.
What are the key properties of (1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol?
(1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol has a molecular weight of 379.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[bis(4-chlorophenyl)-methylsilyl]-1-cyclopentylethanol is sourced from PubChem (CID 161425517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).