[(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate

C27H30ClNO3Si — CID 140845775

IUPAC[(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
SMILESCC(C)(C)[Si](O[C@@H]1c2c(Cl)cccc2CC[C@H]1OC(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30ClNO3Si/c1-27(2,3)33(20-12-6-4-7-13-20,21-14-8-5-9-15-21)32-25-23(31-26(29)30)18-17-19-11-10-16-22(28)24(19)25/h4-16,23,25H,17-18H2,1-3H3,(H2,29,30)/t23-,25+/m1/s1
InChIKeyFOJKNQQUKUPHLB-NOZRDPDXSA-N
MW480.08 g/mol
LogP5.37
Rot. Bonds5

About [(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate

[(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate (PubChem CID 140845775) has the molecular formula C27H30ClNO3Si and a molecular weight of 480.08 g/mol. Its IUPAC name is [(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate.

Molecular Properties

Compound Name[(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
PubChem CID140845775
Molecular FormulaC27H30ClNO3Si
Molecular Weight480.08 g/mol
Exact Mass479.17
IUPAC Name[(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
SMILESCC(C)(C)[Si](O[C@@H]1c2c(Cl)cccc2CC[C@H]1OC(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30ClNO3Si/c1-27(2,3)33(20-12-6-4-7-13-20,21-14-8-5-9-15-21)32-25-23(31-26(29)30)18-17-19-11-10-16-22(28)24(19)25/h4-16,23,25H,17-18H2,1-3H3,(H2,29,30)/t23-,25+/m1/s1
InChIKeyFOJKNQQUKUPHLB-NOZRDPDXSA-N
XLogP5.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.08
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate
CID 140845764
(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol
CID 140845769
ethyl 7-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate
CID 102311250
[(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
CID 134294908
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
[(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate
CID 134294937
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone
CID 88611275

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
The IUPAC name of [(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate (CID 140845775) is [(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate.
What is the SMILES notation for [(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
The canonical SMILES for [(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate is CC(C)(C)[Si](O[C@@H]1c2c(Cl)cccc2CC[C@H]1OC(N)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
The InChIKey is FOJKNQQUKUPHLB-NOZRDPDXSA-N. The full InChI is InChI=1S/C27H30ClNO3Si/c1-27(2,3)33(20-12-6-4-7-13-20,21-14-8-5-9-15-21)32-25-23(31-26(29)30)18-17-19-11-10-16-22(28)24(19)25/h4-16,23,25H,17-18H2,1-3H3,(H2,29,30)/t23-,25+/m1/s1.
What are the key properties of [(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
[(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate has a molecular weight of 480.08 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate is sourced from PubChem (CID 140845775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).