[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate

C26H28ClNO3Si — CID 140845764

IUPAC[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate
SMILESCC(C)(C)[Si](O[C@H]1c2c(Cl)cccc2C[C@@H]1OC(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28ClNO3Si/c1-26(2,3)32(19-12-6-4-7-13-19,20-14-8-5-9-15-20)31-24-22(30-25(28)29)17-18-11-10-16-21(27)23(18)24/h4-16,22,24H,17H2,1-3H3,(H2,28,29)/t22-,24+/m0/s1
InChIKeyYIODSNZVYBECRQ-LADGPHEKSA-N
MW466.05 g/mol
LogP4.98
Rot. Bonds5

About [(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate

[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate (PubChem CID 140845764) has the molecular formula C26H28ClNO3Si and a molecular weight of 466.05 g/mol. Its IUPAC name is [(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate.

Molecular Properties

Compound Name[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate
PubChem CID140845764
Molecular FormulaC26H28ClNO3Si
Molecular Weight466.05 g/mol
Exact Mass465.15
IUPAC Name[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate
SMILESCC(C)(C)[Si](O[C@H]1c2c(Cl)cccc2C[C@@H]1OC(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28ClNO3Si/c1-26(2,3)32(19-12-6-4-7-13-19,20-14-8-5-9-15-20)31-24-22(30-25(28)29)17-18-11-10-16-21(27)23(18)24/h4-16,22,24H,17H2,1-3H3,(H2,28,29)/t22-,24+/m0/s1
InChIKeyYIODSNZVYBECRQ-LADGPHEKSA-N
XLogP4.98
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.05
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
CID 140845775
(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol
CID 140845769
[(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate
CID 134294937
[(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate
CID 134294957
1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone
CID 88611275
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
tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane
CID 140845766
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

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate?
The IUPAC name of [(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate (CID 140845764) is [(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate.
What is the SMILES notation for [(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate?
The canonical SMILES for [(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate is CC(C)(C)[Si](O[C@H]1c2c(Cl)cccc2C[C@@H]1OC(N)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate?
The InChIKey is YIODSNZVYBECRQ-LADGPHEKSA-N. The full InChI is InChI=1S/C26H28ClNO3Si/c1-26(2,3)32(19-12-6-4-7-13-19,20-14-8-5-9-15-20)31-24-22(30-25(28)29)17-18-11-10-16-21(27)23(18)24/h4-16,22,24H,17H2,1-3H3,(H2,28,29)/t22-,24+/m0/s1.
What are the key properties of [(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate?
[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate has a molecular weight of 466.05 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate is sourced from PubChem (CID 140845764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).