ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate

C19H28O7 — CID 174272319

IUPACethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate
SMILESCCOCCOCCOCCOc1ccc(C2O[C@H]2C(=O)OCC)cc1
InChIInChI=1S/C19H28O7/c1-3-21-9-10-22-11-12-23-13-14-25-16-7-5-15(6-8-16)17-18(26-17)19(20)24-4-2/h5-8,17-18H,3-4,9-14H2,1-2H3/t17?,18-/m1/s1
InChIKeySBONDLLPOQLCFD-QRWMCTBCSA-N
MW368.43 g/mol
LogP2.14
Rot. Bonds14

About ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate

ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate (PubChem CID 174272319) has the molecular formula C19H28O7 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate
PubChem CID174272319
Molecular FormulaC19H28O7
Molecular Weight368.43 g/mol
Exact Mass368.18
IUPAC Nameethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate
SMILESCCOCCOCCOCCOc1ccc(C2O[C@H]2C(=O)OCC)cc1
InChIInChI=1S/C19H28O7/c1-3-21-9-10-22-11-12-23-13-14-25-16-7-5-15(6-8-16)17-18(26-17)19(20)24-4-2/h5-8,17-18H,3-4,9-14H2,1-2H3/t17?,18-/m1/s1
InChIKeySBONDLLPOQLCFD-QRWMCTBCSA-N
XLogP2.14
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate
CID 165125375
ethyl 3-(4-phenylmethoxyphenyl)oxirane-2-carboxylate
CID 11277925
ethyl 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]oxirane-2-carboxylate
CID 11473302
ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate
CID 23239564
2-(dimethylamino)ethyl 3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 54511223
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
ethyl (2R,4S,5R)-2,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane-4-carboxylate
CID 23239561
ethyl (2S,4R,5R)-2,5-bis(4-nitrophenyl)-1,3-dioxolane-4-carboxylate
CID 23239554
4-(2-ethoxyethoxy)aniline
CID 16641299
4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid
CID 20595012
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
ethyl (2R,3R)-3-(3-nitrophenyl)oxirane-2-carboxylate
CID 101247009

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate?
The IUPAC name of ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate (CID 174272319) is ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate.
What is the SMILES notation for ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate?
The canonical SMILES for ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate is CCOCCOCCOCCOc1ccc(C2O[C@H]2C(=O)OCC)cc1.
What is the InChIKey of ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate?
The InChIKey is SBONDLLPOQLCFD-QRWMCTBCSA-N. The full InChI is InChI=1S/C19H28O7/c1-3-21-9-10-22-11-12-23-13-14-25-16-7-5-15(6-8-16)17-18(26-17)19(20)24-4-2/h5-8,17-18H,3-4,9-14H2,1-2H3/t17?,18-/m1/s1.
What are the key properties of ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate?
ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 2.14, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate is sourced from PubChem (CID 174272319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).