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

C19H36O — CID 118147189

IUPAC2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol
SMILESCCC1CC(C)CCC1C1CCC(CCO)CC1CC
InChIInChI=1S/C19H36O/c1-4-16-12-14(3)6-8-18(16)19-9-7-15(10-11-20)13-17(19)5-2/h14-20H,4-13H2,1-3H3
InChIKeyKLCPCUGGJZFUOE-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.27
Rot. Bonds5

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

2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol (PubChem CID 118147189) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol
PubChem CID118147189
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol
SMILESCCC1CC(C)CCC1C1CCC(CCO)CC1CC
InChIInChI=1S/C19H36O/c1-4-16-12-14(3)6-8-18(16)19-9-7-15(10-11-20)13-17(19)5-2/h14-20H,4-13H2,1-3H3
InChIKeyKLCPCUGGJZFUOE-UHFFFAOYSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol?
The IUPAC name of 2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol (CID 118147189) is 2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol?
The canonical SMILES for 2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol is CCC1CC(C)CCC1C1CCC(CCO)CC1CC.
What is the InChIKey of 2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol?
The InChIKey is KLCPCUGGJZFUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-4-16-12-14(3)6-8-18(16)19-9-7-15(10-11-20)13-17(19)5-2/h14-20H,4-13H2,1-3H3.
What are the key properties of 2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol?
2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol has a molecular weight of 280.50 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol is sourced from PubChem (CID 118147189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).