CID 90308761

C4H9ClNaO — CID 90308761

IUPAC—
SMILESCC(C)(C)OCl.[Na]
InChIInChI=1S/C4H9ClO.Na/c1-4(2,3)6-5;/h1-3H3;
InChIKeyOVFNVNHIFYOGIJ-UHFFFAOYSA-N
MW131.56 g/mol
LogP1.57
Rot. Bonds

About CID 90308761

CID 90308761 (PubChem CID 90308761) has the molecular formula C4H9ClNaO and a molecular weight of 131.56 g/mol.

Molecular Properties

Compound NameCID 90308761
PubChem CID90308761
Molecular FormulaC4H9ClNaO
Molecular Weight131.56 g/mol
Exact Mass131.02
IUPAC Name—
SMILESCC(C)(C)OCl.[Na]
InChIInChI=1S/C4H9ClO.Na/c1-4(2,3)6-5;/h1-3H3;
InChIKeyOVFNVNHIFYOGIJ-UHFFFAOYSA-N
XLogP1.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 90308761?
The IUPAC name of CID 90308761 (CID 90308761) is not available.
What is the SMILES notation for CID 90308761?
The canonical SMILES for CID 90308761 is CC(C)(C)OCl.[Na].
What is the InChIKey of CID 90308761?
The InChIKey is OVFNVNHIFYOGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO.Na/c1-4(2,3)6-5;/h1-3H3;.
What are the key properties of CID 90308761?
CID 90308761 has a molecular weight of 131.56 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90308761 is sourced from PubChem (CID 90308761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).