ethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate

C30H34O6 — CID 139988302

IUPACethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C)C1COC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C30H34O6/c1-6-35-29(31)28-20(2)27(28)19-36-30(21-7-13-24(32-3)14-8-21,22-9-15-25(33-4)16-10-22)23-11-17-26(34-5)18-12-23/h7-18,20,27-28H,6,19H2,1-5H3
InChIKeyTYQYIMSHPPEMST-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.47
Rot. Bonds11

About ethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate

ethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate (PubChem CID 139988302) has the molecular formula C30H34O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is ethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate
PubChem CID139988302
Molecular FormulaC30H34O6
Molecular Weight490.60 g/mol
Exact Mass490.24
IUPAC Nameethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C)C1COC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C30H34O6/c1-6-35-29(31)28-20(2)27(28)19-36-30(21-7-13-24(32-3)14-8-21,22-9-15-25(33-4)16-10-22)23-11-17-26(34-5)18-12-23/h7-18,20,27-28H,6,19H2,1-5H3
InChIKeyTYQYIMSHPPEMST-UHFFFAOYSA-N
XLogP5.47
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate
CID 23075047
ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate
CID 10553968
diethyl 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]-2-(2,2-dimethylpropanoyloxy)propanedioate
CID 66672416
3-O,4-O-diethyl 2-O-methyl (2S,5R)-5-(4-methoxyphenyl)pyrrolidine-2,3,4-tricarboxylate
CID 132559108
ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate
CID 141084341
diethyl 2-acetyloxy-2-(4-methoxyphenyl)propanedioate
CID 14066104
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
diethyl (1R,2S,3S,4S)-3-(diethylamino)-4-[(4-methoxyphenyl)methoxymethyl]cyclobutane-1,2-dicarboxylate
CID 135004849
N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide
CID 165010410
ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
CID 93483561
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate (CID 139988302) is ethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate is CCOC(=O)C1C(C)C1COC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate?
The InChIKey is TYQYIMSHPPEMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O6/c1-6-35-29(31)28-20(2)27(28)19-36-30(21-7-13-24(32-3)14-8-21,22-9-15-25(33-4)16-10-22)23-11-17-26(34-5)18-12-23/h7-18,20,27-28H,6,19H2,1-5H3.
What are the key properties of ethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate?
ethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate has a molecular weight of 490.60 g/mol, XLogP of 5.47, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 139988302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).