[(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate

C20H30O4 — CID 70823930

IUPAC[(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)O[C@@H](COC(=O)C(C)(C)C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C20H30O4/c1-19(2,3)18(21)23-13-17(24-20(4,5)6)15-9-10-16-14(12-15)8-7-11-22-16/h9-10,12,17H,7-8,11,13H2,1-6H3/t17-/m0/s1
InChIKeySLRPDJQMGBTVPZ-KRWDZBQOSA-N
MW334.46 g/mol
LogP4.46
Rot. Bonds4

About [(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate

[(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate (PubChem CID 70823930) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is [(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
PubChem CID70823930
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name[(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)O[C@@H](COC(=O)C(C)(C)C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C20H30O4/c1-19(2,3)18(21)23-13-17(24-20(4,5)6)15-9-10-16-14(12-15)8-7-11-22-16/h9-10,12,17H,7-8,11,13H2,1-6H3/t17-/m0/s1
InChIKeySLRPDJQMGBTVPZ-KRWDZBQOSA-N
XLogP4.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

[(2S)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
CID 70832915
[(2S)-4-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl] 2,2-dimethylpropanoate
CID 59578558
4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide
CID 65297971
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
3,4-dihydro-2H-chromen-6-yl 2,2-dimethylpropanoate
CID 130250466
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid
CID 62932980
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide
CID 62932981
2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide
CID 116849405
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
CID 116942558
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
CID 54907654

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate (CID 70823930) is [(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate is CC(C)(C)O[C@@H](COC(=O)C(C)(C)C)c1ccc2c(c1)CCCO2.
What is the InChIKey of [(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate?
The InChIKey is SLRPDJQMGBTVPZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30O4/c1-19(2,3)18(21)23-13-17(24-20(4,5)6)15-9-10-16-14(12-15)8-7-11-22-16/h9-10,12,17H,7-8,11,13H2,1-6H3/t17-/m0/s1.
What are the key properties of [(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate?
[(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate has a molecular weight of 334.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 70823930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).