2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol

C83H166O9 — CID 159319770

IUPAC2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol
SMILESCCC1(C)CCC(O)CC1.CCC1(C)CCCC(O)C1.CCC1(C)CCCCC1O.CCC1CC(C)CCC1O.CCC1CC(O)CCC1C.CCC1CCC(O)C(C)C1.CCC1CCCC(O)C1C.CCCC1CCC(O)C(C)C1.CCCC1CCCC(O)C1C
InChIInChI=1S/2C10H20O.7C9H18O/c1-3-5-9-6-4-7-10(11)8(9)2;1-3-4-9-5-6-10(11)8(2)7-9;1-3-9(2)6-4-8(10)5-7-9;1-3-8-4-5-9(10)7(2)6-8;1-3-8-6-9(10)5-4-7(8)2;1-3-8-6-7(2)4-5-9(8)10;1-3-9(2)6-4-5-8(10)7-9;1-3-9(2)7-5-4-6-8(9)10;1-3-8-5-4-6-9(10)7(8)2/h2*8-11H,3-7H2,1-2H3;8,10H,3-7H2,1-2H3;3*7-10H,3-6H2,1-2H3;2*8,10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3
InChIKeyLDPMGNJXPWBWBI-UHFFFAOYSA-N
MW1308.23 g/mol
LogP20.95
Rot. Bonds11

About 2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol

2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol (PubChem CID 159319770) has the molecular formula C83H166O9 and a molecular weight of 1308.23 g/mol. Its IUPAC name is 2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol
PubChem CID159319770
Molecular FormulaC83H166O9
Molecular Weight1308.23 g/mol
Exact Mass1307.25
IUPAC Name2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol
SMILESCCC1(C)CCC(O)CC1.CCC1(C)CCCC(O)C1.CCC1(C)CCCCC1O.CCC1CC(C)CCC1O.CCC1CC(O)CCC1C.CCC1CCC(O)C(C)C1.CCC1CCCC(O)C1C.CCCC1CCC(O)C(C)C1.CCCC1CCCC(O)C1C
InChIInChI=1S/2C10H20O.7C9H18O/c1-3-5-9-6-4-7-10(11)8(9)2;1-3-4-9-5-6-10(11)8(2)7-9;1-3-9(2)6-4-8(10)5-7-9;1-3-8-4-5-9(10)7(2)6-8;1-3-8-6-9(10)5-4-7(8)2;1-3-8-6-7(2)4-5-9(8)10;1-3-9(2)6-4-5-8(10)7-9;1-3-9(2)7-5-4-6-8(9)10;1-3-8-5-4-6-9(10)7(8)2/h2*8-11H,3-7H2,1-2H3;8,10H,3-7H2,1-2H3;3*7-10H,3-6H2,1-2H3;2*8,10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3
InChIKeyLDPMGNJXPWBWBI-UHFFFAOYSA-N
XLogP20.95
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001308.23
LogP ≤ 520.95
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol?
The IUPAC name of 2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol (CID 159319770) is 2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol is CCC1(C)CCC(O)CC1.CCC1(C)CCCC(O)C1.CCC1(C)CCCCC1O.CCC1CC(C)CCC1O.CCC1CC(O)CCC1C.CCC1CCC(O)C(C)C1.CCC1CCCC(O)C1C.CCCC1CCC(O)C(C)C1.CCCC1CCCC(O)C1C.
What is the InChIKey of 2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol?
The InChIKey is LDPMGNJXPWBWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20O.7C9H18O/c1-3-5-9-6-4-7-10(11)8(9)2;1-3-4-9-5-6-10(11)8(2)7-9;1-3-9(2)6-4-8(10)5-7-9;1-3-8-4-5-9(10)7(2)6-8;1-3-8-6-9(10)5-4-7(8)2;1-3-8-6-7(2)4-5-9(8)10;1-3-9(2)6-4-5-8(10)7-9;1-3-9(2)7-5-4-6-8(9)10;1-3-8-5-4-6-9(10)7(8)2/h2*8-11H,3-7H2,1-2H3;8,10H,3-7H2,1-2H3;3*7-10H,3-6H2,1-2H3;2*8,10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol?
2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol has a molecular weight of 1308.23 g/mol, XLogP of 20.95, 11 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylcyclohexan-1-ol;2-ethyl-4-methylcyclohexan-1-ol;3-ethyl-2-methylcyclohexan-1-ol;3-ethyl-3-methylcyclohexan-1-ol;3-ethyl-4-methylcyclohexan-1-ol;4-ethyl-2-methylcyclohexan-1-ol;4-ethyl-4-methylcyclohexan-1-ol;2-methyl-3-propylcyclohexan-1-ol;2-methyl-4-propylcyclohexan-1-ol is sourced from PubChem (CID 159319770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).