(3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium

C8H9O2+ — CID 136815195

IUPAC(3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium
SMILES[H]/[O+]=C1\C=C(O)C(=C)CC1=C
InChIInChI=1S/C8H8O2/c1-5-3-6(2)8(10)4-7(5)9/h4,9H,1-3H2/p+1
InChIKeyYPAYXOICOUYKLQ-UHFFFAOYSA-O
MW137.16 g/mol
LogP1.49
Rot. Bonds

About (3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium

(3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium (PubChem CID 136815195) has the molecular formula C8H9O2+ and a molecular weight of 137.16 g/mol. Its IUPAC name is (3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium.

Molecular Properties

Compound Name(3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium
PubChem CID136815195
Molecular FormulaC8H9O2+
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name(3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium
SMILES[H]/[O+]=C1\C=C(O)C(=C)CC1=C
InChIInChI=1S/C8H8O2/c1-5-3-6(2)8(10)4-7(5)9/h4,9H,1-3H2/p+1
InChIKeyYPAYXOICOUYKLQ-UHFFFAOYSA-O
XLogP1.49
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium?
The IUPAC name of (3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium (CID 136815195) is (3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium.
What is the SMILES notation for (3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium?
The canonical SMILES for (3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium is [H]/[O+]=C1\C=C(O)C(=C)CC1=C.
What is the InChIKey of (3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium?
The InChIKey is YPAYXOICOUYKLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8O2/c1-5-3-6(2)8(10)4-7(5)9/h4,9H,1-3H2/p+1.
What are the key properties of (3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium?
(3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium has a molecular weight of 137.16 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)oxidanium is sourced from PubChem (CID 136815195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).