CID 131872176

C4H10NaO — CID 131872176

IUPAC—
SMILESCC(C)CO.[Na]
InChIInChI=1S/C4H10O.Na/c1-4(2)3-5;/h4-5H,3H2,1-2H3;
InChIKeySPUCFJYSOOULRC-UHFFFAOYSA-N
MW97.11 g/mol
LogP0.25
Rot. Bonds1

About CID 131872176

CID 131872176 (PubChem CID 131872176) has the molecular formula C4H10NaO and a molecular weight of 97.11 g/mol.

Molecular Properties

Compound NameCID 131872176
PubChem CID131872176
Molecular FormulaC4H10NaO
Molecular Weight97.11 g/mol
Exact Mass97.06
IUPAC Name—
SMILESCC(C)CO.[Na]
InChIInChI=1S/C4H10O.Na/c1-4(2)3-5;/h4-5H,3H2,1-2H3;
InChIKeySPUCFJYSOOULRC-UHFFFAOYSA-N
XLogP0.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.11
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 131872176?
The IUPAC name of CID 131872176 (CID 131872176) is not available.
What is the SMILES notation for CID 131872176?
The canonical SMILES for CID 131872176 is CC(C)CO.[Na].
What is the InChIKey of CID 131872176?
The InChIKey is SPUCFJYSOOULRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.Na/c1-4(2)3-5;/h4-5H,3H2,1-2H3;.
What are the key properties of CID 131872176?
CID 131872176 has a molecular weight of 97.11 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131872176 is sourced from PubChem (CID 131872176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).