1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium

C11H19O+ — CID 76764090

IUPAC1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium
SMILES[H]/[O+]=C(\C)[C@@H]1C(C)=CCCC1(C)C
InChIInChI=1S/C11H18O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h6,10H,5,7H2,1-4H3/p+1/t10-/m0/s1
InChIKeyXFMMYPDDHPSAIH-JTQLQIEISA-O
MW167.27 g/mol
LogP2.93
Rot. Bonds1

About 1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium

1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium (PubChem CID 76764090) has the molecular formula C11H19O+ and a molecular weight of 167.27 g/mol. Its IUPAC name is 1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium.

Molecular Properties

Compound Name1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium
PubChem CID76764090
Molecular FormulaC11H19O+
Molecular Weight167.27 g/mol
Exact Mass167.14
IUPAC Name1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium
SMILES[H]/[O+]=C(\C)[C@@H]1C(C)=CCCC1(C)C
InChIInChI=1S/C11H18O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h6,10H,5,7H2,1-4H3/p+1/t10-/m0/s1
InChIKeyXFMMYPDDHPSAIH-JTQLQIEISA-O
XLogP2.93
TPSA21.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
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-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium?
The IUPAC name of 1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium (CID 76764090) is 1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium.
What is the SMILES notation for 1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium?
The canonical SMILES for 1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium is [H]/[O+]=C(\C)[C@@H]1C(C)=CCCC1(C)C.
What is the InChIKey of 1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium?
The InChIKey is XFMMYPDDHPSAIH-JTQLQIEISA-O. The full InChI is InChI=1S/C11H18O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h6,10H,5,7H2,1-4H3/p+1/t10-/m0/s1.
What are the key properties of 1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium?
1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium has a molecular weight of 167.27 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium is sourced from PubChem (CID 76764090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).