ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane

C22H46 — CID 164590716

IUPACethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane
SMILESC.CC.CCCCCC1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C19H36.C2H6.CH4/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18;1-2;/h16-19H,3-15H2,1-2H3;1-2H3;1H4
InChIKeyIRWXKIHUQPAVAF-UHFFFAOYSA-N
MW310.61 g/mol
LogP8.25
Rot. Bonds6

About ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane

ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane (PubChem CID 164590716) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane.

Molecular Properties

Compound Nameethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane
PubChem CID164590716
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Nameethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane
SMILESC.CC.CCCCCC1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C19H36.C2H6.CH4/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18;1-2;/h16-19H,3-15H2,1-2H3;1-2H3;1H4
InChIKeyIRWXKIHUQPAVAF-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-butyl-4-ethylcyclohexane;methane
CID 145295190
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
hexane;pentylcyclopropane
CID 159592467
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
4-(4-pentylcyclohexyl)cyclohexan-1-amine
CID 86168777
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
1-tert-butyl-4-(4-pentylcyclohexyl)cyclohexane;ethane
CID 164591345

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane?
The IUPAC name of ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane (CID 164590716) is ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane.
What is the SMILES notation for ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane?
The canonical SMILES for ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane is C.CC.CCCCCC1CCC(C2CCC(CC)CC2)CC1.
What is the InChIKey of ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane?
The InChIKey is IRWXKIHUQPAVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36.C2H6.CH4/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18;1-2;/h16-19H,3-15H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane?
ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane has a molecular weight of 310.61 g/mol, XLogP of 8.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane is sourced from PubChem (CID 164590716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).