sodium;benzene;2-methylpropan-2-olate

C10H15NaO — CID 174911995

IUPACsodium;benzene;2-methylpropan-2-olate
SMILESCC(C)(C)[O-].[Na+].c1ccccc1
InChIInChI=1S/C6H6.C4H9O.Na/c1-2-4-6-5-3-1;1-4(2,3)5;/h1-6H;1-3H3;/q;-1;+1
InChIKeyZJXMYQFEJBUMSW-UHFFFAOYSA-N
MW174.22 g/mol
LogP-1.16
Rot. Bonds

About sodium;benzene;2-methylpropan-2-olate

sodium;benzene;2-methylpropan-2-olate (PubChem CID 174911995) has the molecular formula C10H15NaO and a molecular weight of 174.22 g/mol. Its IUPAC name is sodium;benzene;2-methylpropan-2-olate.

Molecular Properties

Compound Namesodium;benzene;2-methylpropan-2-olate
PubChem CID174911995
Molecular FormulaC10H15NaO
Molecular Weight174.22 g/mol
Exact Mass174.10
IUPAC Namesodium;benzene;2-methylpropan-2-olate
SMILESCC(C)(C)[O-].[Na+].c1ccccc1
InChIInChI=1S/C6H6.C4H9O.Na/c1-2-4-6-5-3-1;1-4(2,3)5;/h1-6H;1-3H3;/q;-1;+1
InChIKeyZJXMYQFEJBUMSW-UHFFFAOYSA-N
XLogP-1.16
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

triazanium;tris(2-methylpropan-2-olate)
CID 139799993
sodium tert-butanolate
CID 131726539
cerium;hexakis(2-methylpropan-2-olate)
CID 160781573
chromium(4+);tetrakis(2-methylpropan-2-olate)
CID 131715162
potassium;gold;2-methylpropan-2-olate
CID 174888257
tris(2-methylpropan-2-olate);titanium(4+);hydroxide
CID 101188684
bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane)
CID 174928811
sodium 2-sulfanylpropan-2-olate
CID 139771735
benzene;1,1,1-trifluoroethane
CID 91299000
benzene;tetrakis(2,2-dimethylpropane);methoxymethane
CID 158308744
icosakis(2-methylpropan-2-olate);(oxygen(2-));(titanium(4+));toluene;dodecaacetate
CID 139114774
benzene;2,2-dimethylpropane;ethane;methoxymethane
CID 159793869

Frequently Asked Questions

What is the IUPAC name of sodium;benzene;2-methylpropan-2-olate?
The IUPAC name of sodium;benzene;2-methylpropan-2-olate (CID 174911995) is sodium;benzene;2-methylpropan-2-olate.
What is the SMILES notation for sodium;benzene;2-methylpropan-2-olate?
The canonical SMILES for sodium;benzene;2-methylpropan-2-olate is CC(C)(C)[O-].[Na+].c1ccccc1.
What is the InChIKey of sodium;benzene;2-methylpropan-2-olate?
The InChIKey is ZJXMYQFEJBUMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H9O.Na/c1-2-4-6-5-3-1;1-4(2,3)5;/h1-6H;1-3H3;/q;-1;+1.
What are the key properties of sodium;benzene;2-methylpropan-2-olate?
sodium;benzene;2-methylpropan-2-olate has a molecular weight of 174.22 g/mol, XLogP of -1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzene;2-methylpropan-2-olate is sourced from PubChem (CID 174911995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).