6-formyl-5-methylcyclohex-2-en-1-olate

C8H11O2- — CID 134923070

IUPAC6-formyl-5-methylcyclohex-2-en-1-olate
SMILESCC1CC=CC([O-])C1C=O
InChIInChI=1S/C8H11O2/c1-6-3-2-4-8(10)7(6)5-9/h2,4-8H,3H2,1H3/q-1
InChIKeyANLHCEOWSWAWAZ-UHFFFAOYSA-N
MW139.17 g/mol
LogP0.13
Rot. Bonds1

About 6-formyl-5-methylcyclohex-2-en-1-olate

6-formyl-5-methylcyclohex-2-en-1-olate (PubChem CID 134923070) has the molecular formula C8H11O2- and a molecular weight of 139.17 g/mol. Its IUPAC name is 6-formyl-5-methylcyclohex-2-en-1-olate.

Molecular Properties

Compound Name6-formyl-5-methylcyclohex-2-en-1-olate
PubChem CID134923070
Molecular FormulaC8H11O2-
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name6-formyl-5-methylcyclohex-2-en-1-olate
SMILESCC1CC=CC([O-])C1C=O
InChIInChI=1S/C8H11O2/c1-6-3-2-4-8(10)7(6)5-9/h2,4-8H,3H2,1H3/q-1
InChIKeyANLHCEOWSWAWAZ-UHFFFAOYSA-N
XLogP0.13
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-formyl-5-methylcyclohex-2-en-1-olate?
The IUPAC name of 6-formyl-5-methylcyclohex-2-en-1-olate (CID 134923070) is 6-formyl-5-methylcyclohex-2-en-1-olate.
What is the SMILES notation for 6-formyl-5-methylcyclohex-2-en-1-olate?
The canonical SMILES for 6-formyl-5-methylcyclohex-2-en-1-olate is CC1CC=CC([O-])C1C=O.
What is the InChIKey of 6-formyl-5-methylcyclohex-2-en-1-olate?
The InChIKey is ANLHCEOWSWAWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2/c1-6-3-2-4-8(10)7(6)5-9/h2,4-8H,3H2,1H3/q-1.
What are the key properties of 6-formyl-5-methylcyclohex-2-en-1-olate?
6-formyl-5-methylcyclohex-2-en-1-olate has a molecular weight of 139.17 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-5-methylcyclohex-2-en-1-olate is sourced from PubChem (CID 134923070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).