1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+)

C12H20AuO2+ — CID 134837934

IUPAC1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+)
SMILES[Au+].[H]/[C-]=C(/OCC)C1CCCCC1O[CH+]C
InChIInChI=1S/C12H20O2.Au/c1-4-13-10(3)11-8-6-7-9-12(11)14-5-2;/h3,5,11-12H,4,6-9H2,1-2H3;/q;+1
InChIKeyZCOALRSDLWFLSN-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.09
Rot. Bonds5

About 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+)

1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+) (PubChem CID 134837934) has the molecular formula C12H20AuO2+ and a molecular weight of 393.26 g/mol. Its IUPAC name is 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+).

Molecular Properties

Compound Name1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+)
PubChem CID134837934
Molecular FormulaC12H20AuO2+
Molecular Weight393.26 g/mol
Exact Mass393.11
IUPAC Name1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+)
SMILES[Au+].[H]/[C-]=C(/OCC)C1CCCCC1O[CH+]C
InChIInChI=1S/C12H20O2.Au/c1-4-13-10(3)11-8-6-7-9-12(11)14-5-2;/h3,5,11-12H,4,6-9H2,1-2H3;/q;+1
InChIKeyZCOALRSDLWFLSN-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-1-ethenyl-2-methoxycyclohexane
CID 14291129
trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane
CID 14291130
(8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane
CID 134919560
1-(1-Ethoxyethenyl)-2-methylidenecyclohexane
CID 13569065
1-Ethenyl-2-methoxycyclohexane
CID 14291128
3-Methylbut-1-en-2-yloxymethylcyclohexane
CID 58459914
1-Methylidene-4-(propan-2-yloxymethyl)cyclohexane
CID 60110992
1-(1-Butoxyethenyl)-2-methylidenecyclohexane
CID 67991720
1-Methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane
CID 89099285
1-Ethenyl-2-propan-2-yloxycyclohexane
CID 89137044
2-Methoxy-1-methyl-4-methylidenecyclohexane
CID 89297433
1-Methoxy-2-methyl-4-methylidenecyclohexane
CID 90856420

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+)?
The IUPAC name of 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+) (CID 134837934) is 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+).
What is the SMILES notation for 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+)?
The canonical SMILES for 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+) is [Au+].[H]/[C-]=C(/OCC)C1CCCCC1O[CH+]C.
What is the InChIKey of 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+)?
The InChIKey is ZCOALRSDLWFLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2.Au/c1-4-13-10(3)11-8-6-7-9-12(11)14-5-2;/h3,5,11-12H,4,6-9H2,1-2H3;/q;+1.
What are the key properties of 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+)?
1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+) has a molecular weight of 393.26 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+) is sourced from PubChem (CID 134837934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).