ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate

C21H30O2 — CID 154935044

IUPACethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C21H30O2/c1-7-23-18(22)17-13-21(17,6)14-8-9-15-16(12-14)20(4,5)11-10-19(15,2)3/h8-9,12,17H,7,10-11,13H2,1-6H3/t17?,21-/m0/s1
InChIKeyPGWPWIAHJVFYKU-LFABVHOISA-N
MW314.47 g/mol
LogP4.88
Rot. Bonds3

About ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate

ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate (PubChem CID 154935044) has the molecular formula C21H30O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate
PubChem CID154935044
Molecular FormulaC21H30O2
Molecular Weight314.47 g/mol
Exact Mass314.22
IUPAC Nameethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C21H30O2/c1-7-23-18(22)17-13-21(17,6)14-8-9-15-16(12-14)20(4,5)11-10-19(15,2)3/h8-9,12,17H,7,10-11,13H2,1-6H3/t17?,21-/m0/s1
InChIKeyPGWPWIAHJVFYKU-LFABVHOISA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate with MolForge

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Related Compounds

ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate
CID 18357939
ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate
CID 70183425
ethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate
CID 70223410
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
(4E)-3-methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acid
CID 155293178
(2E,4E)-3-methyl-5-[(2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acid
CID 143447931
ethyl 2-(3,4-difluorophenyl)-6-hydroxy-2,4-dimethylcyclohexane-1-carboxylate
CID 67159416
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane
CID 158468057
ethyl 3-[3-methyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1-benzofuran-6-yl]prop-2-enoate
CID 54110737
ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
CID 3086620
ethyl 2-ethyl-2-(2-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylate
CID 145437010

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate (CID 154935044) is ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate?
The InChIKey is PGWPWIAHJVFYKU-LFABVHOISA-N. The full InChI is InChI=1S/C21H30O2/c1-7-23-18(22)17-13-21(17,6)14-8-9-15-16(12-14)20(4,5)11-10-19(15,2)3/h8-9,12,17H,7,10-11,13H2,1-6H3/t17?,21-/m0/s1.
What are the key properties of ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate?
ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate has a molecular weight of 314.47 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 154935044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).