3-methoxycyclohexen-1-olate

C7H11O2- — CID 164667379

IUPAC3-methoxycyclohexen-1-olate
SMILESCOC1C=C([O-])CCC1
InChIInChI=1S/C7H12O2/c1-9-7-4-2-3-6(8)5-7/h5,7-8H,2-4H2,1H3/p-1
InChIKeyUZZWTQFFIKAPMX-UHFFFAOYSA-M
MW127.16 g/mol
LogP0.43
Rot. Bonds1

About 3-methoxycyclohexen-1-olate

3-methoxycyclohexen-1-olate (PubChem CID 164667379) has the molecular formula C7H11O2- and a molecular weight of 127.16 g/mol. Its IUPAC name is 3-methoxycyclohexen-1-olate.

Molecular Properties

Compound Name3-methoxycyclohexen-1-olate
PubChem CID164667379
Molecular FormulaC7H11O2-
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name3-methoxycyclohexen-1-olate
SMILESCOC1C=C([O-])CCC1
InChIInChI=1S/C7H12O2/c1-9-7-4-2-3-6(8)5-7/h5,7-8H,2-4H2,1H3/p-1
InChIKeyUZZWTQFFIKAPMX-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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycyclohexen-1-olate?
The IUPAC name of 3-methoxycyclohexen-1-olate (CID 164667379) is 3-methoxycyclohexen-1-olate.
What is the SMILES notation for 3-methoxycyclohexen-1-olate?
The canonical SMILES for 3-methoxycyclohexen-1-olate is COC1C=C([O-])CCC1.
What is the InChIKey of 3-methoxycyclohexen-1-olate?
The InChIKey is UZZWTQFFIKAPMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12O2/c1-9-7-4-2-3-6(8)5-7/h5,7-8H,2-4H2,1H3/p-1.
What are the key properties of 3-methoxycyclohexen-1-olate?
3-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 3-methoxycyclohexen-1-olate is sourced from PubChem (CID 164667379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).