ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene

C23H38 — CID 144529338

IUPACethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
SMILESCC.CCc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C21H32.C2H6/c1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18;1-2/h6-7,10-11,16,18,20-21H,3-5,8-9,12-15H2,1-2H3;1-2H3
InChIKeyULDWQYGGASETHG-UHFFFAOYSA-N
MW314.56 g/mol
LogP7.38
Rot. Bonds3

About ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene

ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene (PubChem CID 144529338) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Nameethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
PubChem CID144529338
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Nameethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
SMILESCC.CCc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C21H32.C2H6/c1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18;1-2/h6-7,10-11,16,18,20-21H,3-5,8-9,12-15H2,1-2H3;1-2H3
InChIKeyULDWQYGGASETHG-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene (CID 144529338) is ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene is CC.CCc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1.
What is the InChIKey of ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The InChIKey is ULDWQYGGASETHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32.C2H6/c1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18;1-2/h6-7,10-11,16,18,20-21H,3-5,8-9,12-15H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene has a molecular weight of 314.56 g/mol, XLogP of 7.38, 3 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-(4-methylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 144529338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).