sodium;2-methylpropan-2-olate;oxolane

C8H17NaO2 — CID 86662483

IUPACsodium;2-methylpropan-2-olate;oxolane
SMILESC1CCOC1.CC(C)(C)[O-].[Na+]
InChIInChI=1S/C4H8O.C4H9O.Na/c1-2-4-5-3-1;1-4(2,3)5;/h1-4H2;1-3H3;/q;-1;+1
InChIKeyDNEGUUKFMQTAGX-UHFFFAOYSA-N
MW168.21 g/mol
LogP-2.05
Rot. Bonds

About sodium;2-methylpropan-2-olate;oxolane

sodium;2-methylpropan-2-olate;oxolane (PubChem CID 86662483) has the molecular formula C8H17NaO2 and a molecular weight of 168.21 g/mol. Its IUPAC name is sodium;2-methylpropan-2-olate;oxolane.

Molecular Properties

Compound Namesodium;2-methylpropan-2-olate;oxolane
PubChem CID86662483
Molecular FormulaC8H17NaO2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Namesodium;2-methylpropan-2-olate;oxolane
SMILESC1CCOC1.CC(C)(C)[O-].[Na+]
InChIInChI=1S/C4H8O.C4H9O.Na/c1-2-4-5-3-1;1-4(2,3)5;/h1-4H2;1-3H3;/q;-1;+1
InChIKeyDNEGUUKFMQTAGX-UHFFFAOYSA-N
XLogP-2.05
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 5-2.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;2-methylpropan-2-olate;oxolane?
The IUPAC name of sodium;2-methylpropan-2-olate;oxolane (CID 86662483) is sodium;2-methylpropan-2-olate;oxolane.
What is the SMILES notation for sodium;2-methylpropan-2-olate;oxolane?
The canonical SMILES for sodium;2-methylpropan-2-olate;oxolane is C1CCOC1.CC(C)(C)[O-].[Na+].
What is the InChIKey of sodium;2-methylpropan-2-olate;oxolane?
The InChIKey is DNEGUUKFMQTAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H9O.Na/c1-2-4-5-3-1;1-4(2,3)5;/h1-4H2;1-3H3;/q;-1;+1.
What are the key properties of sodium;2-methylpropan-2-olate;oxolane?
sodium;2-methylpropan-2-olate;oxolane has a molecular weight of 168.21 g/mol, XLogP of -2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-methylpropan-2-olate;oxolane is sourced from PubChem (CID 86662483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).