(3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate

C14H20O4 — CID 90300567

IUPAC(3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate
SMILESCCOC(CC)C(C)(OC(=O)O)c1ccccc1
InChIInChI=1S/C14H20O4/c1-4-12(17-5-2)14(3,18-13(15)16)11-9-7-6-8-10-11/h6-10,12H,4-5H2,1-3H3,(H,15,16)
InChIKeyISOBJPFWXGPSNG-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.41
Rot. Bonds6

About (3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate

(3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate (PubChem CID 90300567) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate
PubChem CID90300567
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate
SMILESCCOC(CC)C(C)(OC(=O)O)c1ccccc1
InChIInChI=1S/C14H20O4/c1-4-12(17-5-2)14(3,18-13(15)16)11-9-7-6-8-10-11/h6-10,12H,4-5H2,1-3H3,(H,15,16)
InChIKeyISOBJPFWXGPSNG-UHFFFAOYSA-N
XLogP3.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-methyl-2-phenylpentanoic acid
CID 175507222
(4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate
CID 90300409
(4-methyl-4-phenylhexan-3-yl) acetate
CID 175239854
3-ethyl-2-methyl-2-phenylpentanoic acid
CID 158698282
2-phenylbutan-2-yl 2-methylbutanoate
CID 59331016
(2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol
CID 129388666
(4-butan-2-yloxy-3-methyl-3-phenylbutan-2-yl) hydrogen carbonate
CID 150413034
[3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate
CID 90300637
(1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate
CID 102005654
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
ethyl 2-ethyl-4-methyl-3-oxo-4-phenylpentanoate
CID 55179596
3-ethoxy-1-phenylpentan-2-one
CID 116707454

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate?
The IUPAC name of (3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate (CID 90300567) is (3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate.
What is the SMILES notation for (3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate?
The canonical SMILES for (3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate is CCOC(CC)C(C)(OC(=O)O)c1ccccc1.
What is the InChIKey of (3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate?
The InChIKey is ISOBJPFWXGPSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-12(17-5-2)14(3,18-13(15)16)11-9-7-6-8-10-11/h6-10,12H,4-5H2,1-3H3,(H,15,16).
What are the key properties of (3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate?
(3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate has a molecular weight of 252.31 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate is sourced from PubChem (CID 90300567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).