5-methoxycyclohexen-1-olate

C7H11O2- — CID 164667380

IUPAC5-methoxycyclohexen-1-olate
SMILESCOC1CCC=C([O-])C1
InChIInChI=1S/C7H12O2/c1-9-7-4-2-3-6(8)5-7/h3,7-8H,2,4-5H2,1H3/p-1
InChIKeyCVHFZBZLVUMUKD-UHFFFAOYSA-M
MW127.16 g/mol
LogP0.43
Rot. Bonds1

About 5-methoxycyclohexen-1-olate

5-methoxycyclohexen-1-olate (PubChem CID 164667380) has the molecular formula C7H11O2- and a molecular weight of 127.16 g/mol. Its IUPAC name is 5-methoxycyclohexen-1-olate.

Molecular Properties

Compound Name5-methoxycyclohexen-1-olate
PubChem CID164667380
Molecular FormulaC7H11O2-
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name5-methoxycyclohexen-1-olate
SMILESCOC1CCC=C([O-])C1
InChIInChI=1S/C7H12O2/c1-9-7-4-2-3-6(8)5-7/h3,7-8H,2,4-5H2,1H3/p-1
InChIKeyCVHFZBZLVUMUKD-UHFFFAOYSA-M
XLogP0.43
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methoxycyclohexen-1-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxycyclohexen-1-olate?
The IUPAC name of 5-methoxycyclohexen-1-olate (CID 164667380) is 5-methoxycyclohexen-1-olate.
What is the SMILES notation for 5-methoxycyclohexen-1-olate?
The canonical SMILES for 5-methoxycyclohexen-1-olate is COC1CCC=C([O-])C1.
What is the InChIKey of 5-methoxycyclohexen-1-olate?
The InChIKey is CVHFZBZLVUMUKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12O2/c1-9-7-4-2-3-6(8)5-7/h3,7-8H,2,4-5H2,1H3/p-1.
What are the key properties of 5-methoxycyclohexen-1-olate?
5-methoxycyclohexen-1-olate has a molecular weight of 127.16 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycyclohexen-1-olate is sourced from PubChem (CID 164667380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).