(2-methyl-2-phenylpropyl) hydrogen carbonate

C11H14O3 — CID 150979314

IUPAC(2-methyl-2-phenylpropyl) hydrogen carbonate
SMILESCC(C)(COC(=O)O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-11(2,8-14-10(12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13)
InChIKeyLPTHEBHFDCSQPA-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.66
Rot. Bonds3

About (2-methyl-2-phenylpropyl) hydrogen carbonate

(2-methyl-2-phenylpropyl) hydrogen carbonate (PubChem CID 150979314) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2-methyl-2-phenylpropyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-methyl-2-phenylpropyl) hydrogen carbonate
PubChem CID150979314
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2-methyl-2-phenylpropyl) hydrogen carbonate
SMILESCC(C)(COC(=O)O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-11(2,8-14-10(12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13)
InChIKeyLPTHEBHFDCSQPA-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

aluminum;(2-methyl-2-phenylpropyl) acetate;trichloride
CID 68741763
(2-methyl-2-phenylpropyl) prop-2-enoate
CID 141318899
(2-methyl-2-phenylpropyl) hydrogen selenate
CID 174978550
(2-methyl-2-phenylpropyl) 3-methylbenzoate
CID 175010549
methyl 2-amino-2,4-dimethyl-4-phenylpentanoate
CID 14899524
λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate
CID 175022019
(2-methyl-1-phosphorosooxypropan-2-yl)benzene
CID 175140149
1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-3-phenylpropane-1,3-dione
CID 163212628
1,1-diphenylethyl carbamate
CID 20976713
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233
(2-methyl-2-phenylpropyl) 2-[7-[[2-(2-methyl-2-phenylpropoxy)carbonylbenzoyl]amino]heptylcarbamoyl]benzoate
CID 102286325
[(2S)-4-methyl-1-oxo-4-phenylpentan-2-yl] carbamate
CID 87659192

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-phenylpropyl) hydrogen carbonate?
The IUPAC name of (2-methyl-2-phenylpropyl) hydrogen carbonate (CID 150979314) is (2-methyl-2-phenylpropyl) hydrogen carbonate.
What is the SMILES notation for (2-methyl-2-phenylpropyl) hydrogen carbonate?
The canonical SMILES for (2-methyl-2-phenylpropyl) hydrogen carbonate is CC(C)(COC(=O)O)c1ccccc1.
What is the InChIKey of (2-methyl-2-phenylpropyl) hydrogen carbonate?
The InChIKey is LPTHEBHFDCSQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2,8-14-10(12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13).
What are the key properties of (2-methyl-2-phenylpropyl) hydrogen carbonate?
(2-methyl-2-phenylpropyl) hydrogen carbonate has a molecular weight of 194.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-phenylpropyl) hydrogen carbonate is sourced from PubChem (CID 150979314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).