cesium 2-[2-(2-methylpropyl)phenyl]ethanolate

C12H17CsO — CID 145237019

IUPACcesium 2-[2-(2-methylpropyl)phenyl]ethanolate
SMILESCC(C)Cc1ccccc1CC[O-].[Cs+]
InChIInChI=1S/C12H17O.Cs/c1-10(2)9-12-6-4-3-5-11(12)7-8-13;/h3-6,10H,7-9H2,1-2H3;/q-1;+1
InChIKeyIIXCVEOVIXBYNB-UHFFFAOYSA-N
MW310.17 g/mol
LogP-1.21
Rot. Bonds4

About cesium 2-[2-(2-methylpropyl)phenyl]ethanolate

cesium 2-[2-(2-methylpropyl)phenyl]ethanolate (PubChem CID 145237019) has the molecular formula C12H17CsO and a molecular weight of 310.17 g/mol. Its IUPAC name is cesium 2-[2-(2-methylpropyl)phenyl]ethanolate.

Molecular Properties

Compound Namecesium 2-[2-(2-methylpropyl)phenyl]ethanolate
PubChem CID145237019
Molecular FormulaC12H17CsO
Molecular Weight310.17 g/mol
Exact Mass310.03
IUPAC Namecesium 2-[2-(2-methylpropyl)phenyl]ethanolate
SMILESCC(C)Cc1ccccc1CC[O-].[Cs+]
InChIInChI=1S/C12H17O.Cs/c1-10(2)9-12-6-4-3-5-11(12)7-8-13;/h3-6,10H,7-9H2,1-2H3;/q-1;+1
InChIKeyIIXCVEOVIXBYNB-UHFFFAOYSA-N
XLogP-1.21
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
azane;[2-(2-methylpropyl)phenyl]methanamine
CID 174953175
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
1-[(methyldisulfanyl)methyl]-2-(2-methylpropyl)benzene
CID 129072158
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
bis[2-(2-methylpropyl)phenyl]phosphane
CID 69478192
2-(2-methylpropyl)phenol;propane
CID 158609255
1-(2-methylpropyl)-2-(phenoxymethyl)benzene
CID 173253706
ethane;1-(2-methylpropyl)-2-methylsulfanylbenzene
CID 177025711
3-(2-ethylphenyl)-2-methylpropan-1-ol
CID 23398441
N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine
CID 58593474
1-(2-methylpropyl)-9H-fluorene
CID 87557268

Frequently Asked Questions

What is the IUPAC name of cesium 2-[2-(2-methylpropyl)phenyl]ethanolate?
The IUPAC name of cesium 2-[2-(2-methylpropyl)phenyl]ethanolate (CID 145237019) is cesium 2-[2-(2-methylpropyl)phenyl]ethanolate.
What is the SMILES notation for cesium 2-[2-(2-methylpropyl)phenyl]ethanolate?
The canonical SMILES for cesium 2-[2-(2-methylpropyl)phenyl]ethanolate is CC(C)Cc1ccccc1CC[O-].[Cs+].
What is the InChIKey of cesium 2-[2-(2-methylpropyl)phenyl]ethanolate?
The InChIKey is IIXCVEOVIXBYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O.Cs/c1-10(2)9-12-6-4-3-5-11(12)7-8-13;/h3-6,10H,7-9H2,1-2H3;/q-1;+1.
What are the key properties of cesium 2-[2-(2-methylpropyl)phenyl]ethanolate?
cesium 2-[2-(2-methylpropyl)phenyl]ethanolate has a molecular weight of 310.17 g/mol, XLogP of -1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 2-[2-(2-methylpropyl)phenyl]ethanolate is sourced from PubChem (CID 145237019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).