1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium

C23H37Rf- — CID 58650738

IUPAC1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium
SMILESCC1CCC(C#CC2CCC(CCC3CC[CH-]CC3)CC2)CC1.[Rf]
InChIInChI=1S/C23H37.Rf/c1-19-7-9-21(10-8-19)13-14-23-17-15-22(16-18-23)12-11-20-5-3-2-4-6-20;/h2,19-23H,3-12,15-18H2,1H3;/q-1;
InChIKeyGTTXDJBWXUPILV-UHFFFAOYSA-N
MW580.55 g/mol
LogP6.80
Rot. Bonds3

About 1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium

1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium (PubChem CID 58650738) has the molecular formula C23H37Rf- and a molecular weight of 580.55 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium
PubChem CID58650738
Molecular FormulaC23H37Rf-
Molecular Weight580.55 g/mol
Exact Mass580.41
IUPAC Name1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium
SMILESCC1CCC(C#CC2CCC(CCC3CC[CH-]CC3)CC2)CC1.[Rf]
InChIInChI=1S/C23H37.Rf/c1-19-7-9-21(10-8-19)13-14-23-17-15-22(16-18-23)12-11-20-5-3-2-4-6-20;/h2,19-23H,3-12,15-18H2,1H3;/q-1;
InChIKeyGTTXDJBWXUPILV-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.55
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 19984734
1-propyl-4-[2-(4-propylcyclohexyl)ethynyl]cyclohexane
CID 145484566
magnesium;carbanide;1-(cyclohexylmethyl)-4-methylcyclohexane
CID 59888204
2-[2-(4-methylcyclohexyl)ethyl]oxirane
CID 58971302
methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 160901887
CID 20632302
CID 20632302
1-heptyl-4-[2-(4-propylcyclohexyl)ethynyl]cyclohexane
CID 19985111
magnesium;butylcyclohexane;bromide
CID 15255726
1-ethyl-4-[2-(4-heptylcyclohexyl)ethynyl]cyclohexane
CID 19985073
3-(4-methylcyclohexyl)propane-1-thiol
CID 139295204
1-(3-fluoropropyl)-4-methylcyclohexane
CID 166888842
1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane
CID 19424873

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium?
The IUPAC name of 1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium (CID 58650738) is 1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium.
What is the SMILES notation for 1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium?
The canonical SMILES for 1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium is CC1CCC(C#CC2CCC(CCC3CC[CH-]CC3)CC2)CC1.[Rf].
What is the InChIKey of 1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium?
The InChIKey is GTTXDJBWXUPILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37.Rf/c1-19-7-9-21(10-8-19)13-14-23-17-15-22(16-18-23)12-11-20-5-3-2-4-6-20;/h2,19-23H,3-12,15-18H2,1H3;/q-1;.
What are the key properties of 1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium?
1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium has a molecular weight of 580.55 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium is sourced from PubChem (CID 58650738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).