tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate

C20H24O2 — CID 102109474

IUPACtert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate
SMILESC[C@H]1C[C@@H](C(=O)OC(C)(C)C)[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C20H24O2/c1-13-12-17(19(21)22-20(2,3)4)18(13)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17-18H,12H2,1-4H3/t13-,17+,18-/m0/s1
InChIKeyYJYSFNMNKBUUFV-VHSSKADRSA-N
MW296.41 g/mol
LogP4.92
Rot. Bonds2

About tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate

tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate (PubChem CID 102109474) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate
PubChem CID102109474
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Nametert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate
SMILESC[C@H]1C[C@@H](C(=O)OC(C)(C)C)[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C20H24O2/c1-13-12-17(19(21)22-20(2,3)4)18(13)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17-18H,12H2,1-4H3/t13-,17+,18-/m0/s1
InChIKeyYJYSFNMNKBUUFV-VHSSKADRSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 135374954
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CID 102253036
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CID 101004961
tert-butyl (1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
CID 101004965
1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone
CID 61055472
trans-tert-butyl (1S,2S)-2-benzoylcyclopropane-1-carboxylate
CID 12996560
(1S,2S,3R)-2-(2-methoxyphenyl)-3-naphthalen-1-yloxycarbonylcyclobutane-1-carboxylic acid
CID 163249674
tert-butyl 1,2,3,4-tetrahydrochrysene-1-carboxylate
CID 174377147
tert-butyl (2R,3R)-2-hydroxy-3-naphthalen-1-yl-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 102600196
tert-butyl 5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 91482202
tert-butyl (1R,2S,3R)-2-(dibenzylamino)-3-methylcyclopentane-1-carboxylate
CID 11360978
cis-tert-butyl (1R,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxylate
CID 102520338

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate?
The IUPAC name of tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate (CID 102109474) is tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate.
What is the SMILES notation for tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate?
The canonical SMILES for tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate is C[C@H]1C[C@@H](C(=O)OC(C)(C)C)[C@@H]1c1cccc2ccccc12.
What is the InChIKey of tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate?
The InChIKey is YJYSFNMNKBUUFV-VHSSKADRSA-N. The full InChI is InChI=1S/C20H24O2/c1-13-12-17(19(21)22-20(2,3)4)18(13)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17-18H,12H2,1-4H3/t13-,17+,18-/m0/s1.
What are the key properties of tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate?
tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate is sourced from PubChem (CID 102109474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).