bis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate

C27H38O7 — CID 90300556

IUPACbis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate
SMILESCCOCCOC(C)Cc1ccc(OC(=O)Oc2ccc(CC(C)OCCOCC)cc2)cc1
InChIInChI=1S/C27H38O7/c1-5-29-15-17-31-21(3)19-23-7-11-25(12-8-23)33-27(28)34-26-13-9-24(10-14-26)20-22(4)32-18-16-30-6-2/h7-14,21-22H,5-6,15-20H2,1-4H3
InChIKeySRBDLNJTXSKGOJ-UHFFFAOYSA-N
MW474.59 g/mol
LogP5.23
Rot. Bonds16

About bis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate

bis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate (PubChem CID 90300556) has the molecular formula C27H38O7 and a molecular weight of 474.59 g/mol. Its IUPAC name is bis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate.

Molecular Properties

Compound Namebis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate
PubChem CID90300556
Molecular FormulaC27H38O7
Molecular Weight474.59 g/mol
Exact Mass474.26
IUPAC Namebis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate
SMILESCCOCCOC(C)Cc1ccc(OC(=O)Oc2ccc(CC(C)OCCOCC)cc2)cc1
InChIInChI=1S/C27H38O7/c1-5-29-15-17-31-21(3)19-23-7-11-25(12-8-23)33-27(28)34-26-13-9-24(10-14-26)20-22(4)32-18-16-30-6-2/h7-14,21-22H,5-6,15-20H2,1-4H3
InChIKeySRBDLNJTXSKGOJ-UHFFFAOYSA-N
XLogP5.23
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.59
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

bis[4-[(2R)-2-phenylpropyl]phenyl] carbonate
CID 166745079
bis(4-ethylphenyl) carbonate;carbonic acid
CID 159757999
diphenyl carbonate;ethoxyethane
CID 67230205
(2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid
CID 174172244
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
[4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate
CID 60546100
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
(4-ethoxyphenyl) 4-(2-methylbutyl)benzoate
CID 91726746
phenyl 1-(4-phenylphenyl)propan-2-yl carbonate
CID 10892928
4-[4-(2-propoxypropyl)phenyl]benzoic acid
CID 15027159
4-[2-[4-(2-ethoxyethoxy)-6-(2-propan-2-yloxyethoxy)heptan-2-yl]oxyethoxy]benzoic acid
CID 58861562
bis[4-[2-(2-methyl-1-phenylpropoxy)ethyl]phenyl] carbonate
CID 141386007

Frequently Asked Questions

What is the IUPAC name of bis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate?
The IUPAC name of bis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate (CID 90300556) is bis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate.
What is the SMILES notation for bis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate?
The canonical SMILES for bis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate is CCOCCOC(C)Cc1ccc(OC(=O)Oc2ccc(CC(C)OCCOCC)cc2)cc1.
What is the InChIKey of bis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate?
The InChIKey is SRBDLNJTXSKGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O7/c1-5-29-15-17-31-21(3)19-23-7-11-25(12-8-23)33-27(28)34-26-13-9-24(10-14-26)20-22(4)32-18-16-30-6-2/h7-14,21-22H,5-6,15-20H2,1-4H3.
What are the key properties of bis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate?
bis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate has a molecular weight of 474.59 g/mol, XLogP of 5.23, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate is sourced from PubChem (CID 90300556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).