(1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol

C19H21ClOSi — CID 134997411

IUPAC(1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol
SMILESC[Si](C)(C)[C@@H]1[C@H]2c3ccccc3[C@](O)(c3ccc(Cl)cc3)[C@H]21
InChIInChI=1S/C19H21ClOSi/c1-22(2,3)18-16-14-6-4-5-7-15(14)19(21,17(16)18)12-8-10-13(20)11-9-12/h4-11,16-18,21H,1-3H3/t16-,17+,18+,19+/m0/s1
InChIKeyPKWQNCBSTZQGAU-WJFTUGDTSA-N
MW328.92 g/mol
LogP5.01
Rot. Bonds2

About (1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol

(1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol (PubChem CID 134997411) has the molecular formula C19H21ClOSi and a molecular weight of 328.92 g/mol. Its IUPAC name is (1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol.

Molecular Properties

Compound Name(1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol
PubChem CID134997411
Molecular FormulaC19H21ClOSi
Molecular Weight328.92 g/mol
Exact Mass328.11
IUPAC Name(1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol
SMILESC[Si](C)(C)[C@@H]1[C@H]2c3ccccc3[C@](O)(c3ccc(Cl)cc3)[C@H]21
InChIInChI=1S/C19H21ClOSi/c1-22(2,3)18-16-14-6-4-5-7-15(14)19(21,17(16)18)12-8-10-13(20)11-9-12/h4-11,16-18,21H,1-3H3/t16-,17+,18+,19+/m0/s1
InChIKeyPKWQNCBSTZQGAU-WJFTUGDTSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.92
LogP ≤ 55.01
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 (1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol?
The IUPAC name of (1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol (CID 134997411) is (1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol.
What is the SMILES notation for (1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol?
The canonical SMILES for (1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol is C[Si](C)(C)[C@@H]1[C@H]2c3ccccc3[C@](O)(c3ccc(Cl)cc3)[C@H]21.
What is the InChIKey of (1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol?
The InChIKey is PKWQNCBSTZQGAU-WJFTUGDTSA-N. The full InChI is InChI=1S/C19H21ClOSi/c1-22(2,3)18-16-14-6-4-5-7-15(14)19(21,17(16)18)12-8-10-13(20)11-9-12/h4-11,16-18,21H,1-3H3/t16-,17+,18+,19+/m0/s1.
What are the key properties of (1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol?
(1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol has a molecular weight of 328.92 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol is sourced from PubChem (CID 134997411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).