(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol

C26H29ClO2Si — CID 140845769

IUPAC(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCC(C)(C)[Si](O[C@H]1c2c(Cl)cccc2CC[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29ClO2Si/c1-26(2,3)30(20-12-6-4-7-13-20,21-14-8-5-9-15-21)29-25-23(28)18-17-19-11-10-16-22(27)24(19)25/h4-16,23,25,28H,17-18H2,1-3H3/t23-,25+/m0/s1
InChIKeyKNIYPSZZNSTGTK-UKILVPOCSA-N
MW437.06 g/mol
LogP5.26
Rot. Bonds4

About (1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol

(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 140845769) has the molecular formula C26H29ClO2Si and a molecular weight of 437.06 g/mol. Its IUPAC name is (1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID140845769
Molecular FormulaC26H29ClO2Si
Molecular Weight437.06 g/mol
Exact Mass436.16
IUPAC Name(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCC(C)(C)[Si](O[C@H]1c2c(Cl)cccc2CC[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29ClO2Si/c1-26(2,3)30(20-12-6-4-7-13-20,21-14-8-5-9-15-21)29-25-23(28)18-17-19-11-10-16-22(27)24(19)25/h4-16,23,25,28H,17-18H2,1-3H3/t23-,25+/m0/s1
InChIKeyKNIYPSZZNSTGTK-UKILVPOCSA-N
XLogP5.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.06
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol (CID 140845769) is (1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol is CC(C)(C)[Si](O[C@H]1c2c(Cl)cccc2CC[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is KNIYPSZZNSTGTK-UKILVPOCSA-N. The full InChI is InChI=1S/C26H29ClO2Si/c1-26(2,3)30(20-12-6-4-7-13-20,21-14-8-5-9-15-21)29-25-23(28)18-17-19-11-10-16-22(27)24(19)25/h4-16,23,25,28H,17-18H2,1-3H3/t23-,25+/m0/s1.
What are the key properties of (1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol?
(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 437.06 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 140845769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).