ethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate

C19H30O2 — CID 142994213

IUPACethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate
SMILESCC.CC.COC(=O)[C@H](C)Cc1cccc2c1C=CCC2
InChIInChI=1S/C15H18O2.2C2H6/c1-11(15(16)17-2)10-13-8-5-7-12-6-3-4-9-14(12)13;2*1-2/h4-5,7-9,11H,3,6,10H2,1-2H3;2*1-2H3/t11-;;/m1../s1
InChIKeyZGJCRXVOPCXVHZ-NVJADKKVSA-N
MW290.45 g/mol
LogP5.05
Rot. Bonds3

About ethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate

ethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate (PubChem CID 142994213) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is ethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate
PubChem CID142994213
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Nameethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate
SMILESCC.CC.COC(=O)[C@H](C)Cc1cccc2c1C=CCC2
InChIInChI=1S/C15H18O2.2C2H6/c1-11(15(16)17-2)10-13-8-5-7-12-6-3-4-9-14(12)13;2*1-2/h4-5,7-9,11H,3,6,10H2,1-2H3;2*1-2H3/t11-;;/m1../s1
InChIKeyZGJCRXVOPCXVHZ-NVJADKKVSA-N
XLogP5.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5,6-dihydronaphthalen-1-ylmethyl)propanamide
CID 153344139
1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one
CID 177180647
methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate
CID 142833318
methyl 2-methyl-3-phenylpropanoate
CID 11105919
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
methyl (2R)-2-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propanoate
CID 159670756
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
CID 144688794
methyl 3-(5-amino-2-methylphenyl)-2-methylpropanoate
CID 84675387
methyl (2S)-3-(2-ethyl-4-hydroxyphenyl)-2-methylpropanoate
CID 134580652
methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
CID 97184757
methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
CID 139606932

Frequently Asked Questions

What is the IUPAC name of ethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate?
The IUPAC name of ethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate (CID 142994213) is ethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate.
What is the SMILES notation for ethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate?
The canonical SMILES for ethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate is CC.CC.COC(=O)[C@H](C)Cc1cccc2c1C=CCC2.
What is the InChIKey of ethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate?
The InChIKey is ZGJCRXVOPCXVHZ-NVJADKKVSA-N. The full InChI is InChI=1S/C15H18O2.2C2H6/c1-11(15(16)17-2)10-13-8-5-7-12-6-3-4-9-14(12)13;2*1-2/h4-5,7-9,11H,3,6,10H2,1-2H3;2*1-2H3/t11-;;/m1../s1.
What are the key properties of ethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate?
ethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate has a molecular weight of 290.45 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate is sourced from PubChem (CID 142994213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).