ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

C25H32O3 — CID 123410601

IUPACethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCCOC(=O)C(OC(C)(C)C)c1c(C)cc2ccccc2c1C1=CCCCC1
InChIInChI=1S/C25H32O3/c1-6-27-24(26)23(28-25(3,4)5)21-17(2)16-19-14-10-11-15-20(19)22(21)18-12-8-7-9-13-18/h10-12,14-16,23H,6-9,13H2,1-5H3
InChIKeyDREZYPKNWJPLPE-UHFFFAOYSA-N
MW380.53 g/mol
LogP6.52
Rot. Bonds5

About ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 123410601) has the molecular formula C25H32O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID123410601
Molecular FormulaC25H32O3
Molecular Weight380.53 g/mol
Exact Mass380.24
IUPAC Nameethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCCOC(=O)C(OC(C)(C)C)c1c(C)cc2ccccc2c1C1=CCCCC1
InChIInChI=1S/C25H32O3/c1-6-27-24(26)23(28-25(3,4)5)21-17(2)16-19-14-10-11-15-20(19)22(21)18-12-8-7-9-13-18/h10-12,14-16,23H,6-9,13H2,1-5H3
InChIKeyDREZYPKNWJPLPE-UHFFFAOYSA-N
XLogP6.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-[5-(cyclohexen-1-yl)-2-(hydroxymethyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 68594629
ethyl (2S)-2-[5-(cyclohexen-1-yl)-2-[(dimethylamino)methyl]-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 68586390
(2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-spiro[2.5]oct-6-en-6-ylnaphthalen-2-yl)acetic acid
CID 56601716
(2S)-2-[1-(4,4-dimethylcyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 56601715
ethyl 2-[1-(8-azatetracyclo[7.3.1.02,4.05,13]trideca-1(13),2,5,7,9,11-hexaen-10-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 123736297
2-[5-(cyclohexen-1-yl)-2-[(dimethylamino)methyl]-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 66631409
ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 141324526
CID 161465741
CID 161465741
(1S)-1-[1-(3-isocyanophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 158219891
ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 123322741
ethyl (2S)-2-[7-(4-chlorophenyl)-2-[3-(cyclohexen-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 159192103
ethyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)naphthalen-1-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 86709339

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 123410601) is ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is CCOC(=O)C(OC(C)(C)C)c1c(C)cc2ccccc2c1C1=CCCCC1.
What is the InChIKey of ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is DREZYPKNWJPLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O3/c1-6-27-24(26)23(28-25(3,4)5)21-17(2)16-19-14-10-11-15-20(19)22(21)18-12-8-7-9-13-18/h10-12,14-16,23H,6-9,13H2,1-5H3.
What are the key properties of ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 380.53 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 123410601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).