sodium cyclohexen-1-olate

C6H9NaO — CID 23669886

IUPACsodium cyclohexen-1-olate
SMILES[Na+].[O-]C1=CCCCC1
InChIInChI=1S/C6H10O.Na/c7-6-4-2-1-3-5-6;/h4,7H,1-3,5H2;/q;+1/p-1
InChIKeyWTFVXDQRBPFKDM-UHFFFAOYSA-M
MW120.13 g/mol
LogP-2.19
Rot. Bonds

About sodium cyclohexen-1-olate

sodium cyclohexen-1-olate (PubChem CID 23669886) has the molecular formula C6H9NaO and a molecular weight of 120.13 g/mol. Its IUPAC name is sodium cyclohexen-1-olate.

Molecular Properties

Compound Namesodium cyclohexen-1-olate
PubChem CID23669886
Molecular FormulaC6H9NaO
Molecular Weight120.13 g/mol
Exact Mass120.06
IUPAC Namesodium cyclohexen-1-olate
SMILES[Na+].[O-]C1=CCCCC1
InChIInChI=1S/C6H10O.Na/c7-6-4-2-1-3-5-6;/h4,7H,1-3,5H2;/q;+1/p-1
InChIKeyWTFVXDQRBPFKDM-UHFFFAOYSA-M
XLogP-2.19
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 5-2.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium cyclohexen-1-olate?
The IUPAC name of sodium cyclohexen-1-olate (CID 23669886) is sodium cyclohexen-1-olate.
What is the SMILES notation for sodium cyclohexen-1-olate?
The canonical SMILES for sodium cyclohexen-1-olate is [Na+].[O-]C1=CCCCC1.
What is the InChIKey of sodium cyclohexen-1-olate?
The InChIKey is WTFVXDQRBPFKDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O.Na/c7-6-4-2-1-3-5-6;/h4,7H,1-3,5H2;/q;+1/p-1.
What are the key properties of sodium cyclohexen-1-olate?
sodium cyclohexen-1-olate has a molecular weight of 120.13 g/mol, XLogP of -2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium cyclohexen-1-olate is sourced from PubChem (CID 23669886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).