sodium (3-methyloxetan-3-yl)methanolate

C5H9NaO2 — CID 58958837

IUPACsodium (3-methyloxetan-3-yl)methanolate
SMILESCC1(C[O-])COC1.[Na+]
InChIInChI=1S/C5H9O2.Na/c1-5(2-6)3-7-4-5;/h2-4H2,1H3;/q-1;+1
InChIKeyIBKYFTWLWSILFH-UHFFFAOYSA-N
MW124.11 g/mol
LogP-3.61
Rot. Bonds1

About sodium (3-methyloxetan-3-yl)methanolate

sodium (3-methyloxetan-3-yl)methanolate (PubChem CID 58958837) has the molecular formula C5H9NaO2 and a molecular weight of 124.11 g/mol. Its IUPAC name is sodium (3-methyloxetan-3-yl)methanolate.

Molecular Properties

Compound Namesodium (3-methyloxetan-3-yl)methanolate
PubChem CID58958837
Molecular FormulaC5H9NaO2
Molecular Weight124.11 g/mol
Exact Mass124.05
IUPAC Namesodium (3-methyloxetan-3-yl)methanolate
SMILESCC1(C[O-])COC1.[Na+]
InChIInChI=1S/C5H9O2.Na/c1-5(2-6)3-7-4-5;/h2-4H2,1H3;/q-1;+1
InChIKeyIBKYFTWLWSILFH-UHFFFAOYSA-N
XLogP-3.61
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.11
LogP ≤ 5-3.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium (3-methyloxetan-3-yl)methanolate?
The IUPAC name of sodium (3-methyloxetan-3-yl)methanolate (CID 58958837) is sodium (3-methyloxetan-3-yl)methanolate.
What is the SMILES notation for sodium (3-methyloxetan-3-yl)methanolate?
The canonical SMILES for sodium (3-methyloxetan-3-yl)methanolate is CC1(C[O-])COC1.[Na+].
What is the InChIKey of sodium (3-methyloxetan-3-yl)methanolate?
The InChIKey is IBKYFTWLWSILFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2.Na/c1-5(2-6)3-7-4-5;/h2-4H2,1H3;/q-1;+1.
What are the key properties of sodium (3-methyloxetan-3-yl)methanolate?
sodium (3-methyloxetan-3-yl)methanolate has a molecular weight of 124.11 g/mol, XLogP of -3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (3-methyloxetan-3-yl)methanolate is sourced from PubChem (CID 58958837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).