[1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium

C11H19O2+ — CID 134864887

IUPAC[1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium
SMILES[H]/[O+]=C(\O)CC1=C(C)CCCC1(C)C
InChIInChI=1S/C11H18O2/c1-8-5-4-6-11(2,3)9(8)7-10(12)13/h4-7H2,1-3H3,(H,12,13)/p+1
InChIKeyCCIVDDLKQSQGEZ-UHFFFAOYSA-O
MW183.27 g/mol
LogP2.96
Rot. Bonds2

About [1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium

[1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium (PubChem CID 134864887) has the molecular formula C11H19O2+ and a molecular weight of 183.27 g/mol. Its IUPAC name is [1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium.

Molecular Properties

Compound Name[1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium
PubChem CID134864887
Molecular FormulaC11H19O2+
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name[1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium
SMILES[H]/[O+]=C(\O)CC1=C(C)CCCC1(C)C
InChIInChI=1S/C11H18O2/c1-8-5-4-6-11(2,3)9(8)7-10(12)13/h4-7H2,1-3H3,(H,12,13)/p+1
InChIKeyCCIVDDLKQSQGEZ-UHFFFAOYSA-O
XLogP2.96
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium?
The IUPAC name of [1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium (CID 134864887) is [1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium.
What is the SMILES notation for [1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium?
The canonical SMILES for [1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium is [H]/[O+]=C(\O)CC1=C(C)CCCC1(C)C.
What is the InChIKey of [1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium?
The InChIKey is CCIVDDLKQSQGEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18O2/c1-8-5-4-6-11(2,3)9(8)7-10(12)13/h4-7H2,1-3H3,(H,12,13)/p+1.
What are the key properties of [1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium?
[1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium has a molecular weight of 183.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]oxidanium is sourced from PubChem (CID 134864887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).