[3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate

C16H24O5 — CID 90300637

IUPAC[3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate
SMILESCCOCCOC(C)(c1ccccc1)C(C)(C)OC(=O)O
InChIInChI=1S/C16H24O5/c1-5-19-11-12-20-16(4,13-9-7-6-8-10-13)15(2,3)21-14(17)18/h6-10H,5,11-12H2,1-4H3,(H,17,18)
InChIKeyRINYRGWGUMBRDY-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.43
Rot. Bonds8

About [3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate

[3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate (PubChem CID 90300637) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is [3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate
PubChem CID90300637
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name[3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate
SMILESCCOCCOC(C)(c1ccccc1)C(C)(C)OC(=O)O
InChIInChI=1S/C16H24O5/c1-5-19-11-12-20-16(4,13-9-7-6-8-10-13)15(2,3)21-14(17)18/h6-10H,5,11-12H2,1-4H3,(H,17,18)
InChIKeyRINYRGWGUMBRDY-UHFFFAOYSA-N
XLogP3.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-butoxy-2-methyl-3-phenylbutan-2-yl) hydrogen carbonate
CID 90300527
(3-methoxy-2-methyl-3-phenylbutan-2-yl) hydrogen carbonate
CID 90300640
[1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate
CID 118088572
2-ethoxyethyl 2-amino-2-phenylpropanoate
CID 62488733
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
3-ethoxy-2-methyl-2-phenylpropanoic acid
CID 174890846
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938
(3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate
CID 90300567
(4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate
CID 90300409
2-(aminomethyl)-4-ethoxy-2-phenylbutanoic acid
CID 106489363
2-ethoxyethyl N-phenylcarbamate
CID 4101389
ethoxyethane;triphenylmethanol
CID 70428584

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate?
The IUPAC name of [3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate (CID 90300637) is [3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate.
What is the SMILES notation for [3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate?
The canonical SMILES for [3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate is CCOCCOC(C)(c1ccccc1)C(C)(C)OC(=O)O.
What is the InChIKey of [3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate?
The InChIKey is RINYRGWGUMBRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-5-19-11-12-20-16(4,13-9-7-6-8-10-13)15(2,3)21-14(17)18/h6-10H,5,11-12H2,1-4H3,(H,17,18).
What are the key properties of [3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate?
[3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate has a molecular weight of 296.36 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate is sourced from PubChem (CID 90300637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).