2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol

C25H46O — CID 118147264

IUPAC2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
SMILESCCC1CC(CCO)CCC1C1CCC(C2CCC(C)CC2)C(CC)C1
InChIInChI=1S/C25H46O/c1-4-20-16-19(14-15-26)8-12-25(20)23-11-13-24(21(5-2)17-23)22-9-6-18(3)7-10-22/h18-26H,4-17H2,1-3H3
InChIKeyZWHJJENDVNFWJZ-UHFFFAOYSA-N
MW362.64 g/mol
LogP7.08
Rot. Bonds6

About 2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol

2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol (PubChem CID 118147264) has the molecular formula C25H46O and a molecular weight of 362.64 g/mol. Its IUPAC name is 2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
PubChem CID118147264
Molecular FormulaC25H46O
Molecular Weight362.64 g/mol
Exact Mass362.35
IUPAC Name2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
SMILESCCC1CC(CCO)CCC1C1CCC(C2CCC(C)CC2)C(CC)C1
InChIInChI=1S/C25H46O/c1-4-20-16-19(14-15-26)8-12-25(20)23-11-13-24(21(5-2)17-23)22-9-6-18(3)7-10-22/h18-26H,4-17H2,1-3H3
InChIKeyZWHJJENDVNFWJZ-UHFFFAOYSA-N
XLogP7.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.64
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-ethyl-4-[3-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
CID 118147238
5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 140677376
2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol
CID 118147189
(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 143342565
2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 71204200
4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol
CID 140677441
5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 118147229
3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol
CID 140677444
5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol
CID 140677372
2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol
CID 59931224
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol?
The IUPAC name of 2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol (CID 118147264) is 2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol.
What is the SMILES notation for 2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol?
The canonical SMILES for 2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol is CCC1CC(CCO)CCC1C1CCC(C2CCC(C)CC2)C(CC)C1.
What is the InChIKey of 2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol?
The InChIKey is ZWHJJENDVNFWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O/c1-4-20-16-19(14-15-26)8-12-25(20)23-11-13-24(21(5-2)17-23)22-9-6-18(3)7-10-22/h18-26H,4-17H2,1-3H3.
What are the key properties of 2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol?
2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol has a molecular weight of 362.64 g/mol, XLogP of 7.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol is sourced from PubChem (CID 118147264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).