(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate

C13H18O3 — CID 150202343

IUPAC(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate
SMILESCC(C)(CCCc1ccccc1)OC(=O)O
InChIInChI=1S/C13H18O3/c1-13(2,16-12(14)15)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,14,15)
InChIKeyFPTGRIYMQTUZJS-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.48
Rot. Bonds5

About (2-methyl-5-phenylpentan-2-yl) hydrogen carbonate

(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate (PubChem CID 150202343) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (2-methyl-5-phenylpentan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate
PubChem CID150202343
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate
SMILESCC(C)(CCCc1ccccc1)OC(=O)O
InChIInChI=1S/C13H18O3/c1-13(2,16-12(14)15)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,14,15)
InChIKeyFPTGRIYMQTUZJS-UHFFFAOYSA-N
XLogP3.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-5-phenylpentan-2-yl) benzoate
CID 118040368
bis(2-methyl-4-phenylbutan-2-yl) oxalate
CID 163946478
7,7-dimethyl-1-phenyloctan-4-one
CID 105093400
[2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate
CID 150377351
2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855
tert-butyl 3-phenylpropyl carbonate
CID 24789021
2-hydroxy-2-(3-phenylpropyl)propanedioic acid
CID 121011263
2,6-dimethylheptan-2-yl 2-phenylacetate
CID 154628411
2-methylundecan-2-yl 2-phenylacetate
CID 139889073
27,27-dimethyloctacosylbenzene
CID 140589361
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid
CID 119225136

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenylpentan-2-yl) hydrogen carbonate?
The IUPAC name of (2-methyl-5-phenylpentan-2-yl) hydrogen carbonate (CID 150202343) is (2-methyl-5-phenylpentan-2-yl) hydrogen carbonate.
What is the SMILES notation for (2-methyl-5-phenylpentan-2-yl) hydrogen carbonate?
The canonical SMILES for (2-methyl-5-phenylpentan-2-yl) hydrogen carbonate is CC(C)(CCCc1ccccc1)OC(=O)O.
What is the InChIKey of (2-methyl-5-phenylpentan-2-yl) hydrogen carbonate?
The InChIKey is FPTGRIYMQTUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-13(2,16-12(14)15)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,14,15).
What are the key properties of (2-methyl-5-phenylpentan-2-yl) hydrogen carbonate?
(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate has a molecular weight of 222.28 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-phenylpentan-2-yl) hydrogen carbonate is sourced from PubChem (CID 150202343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).