1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane

C148H284 — CID 164963292

IUPAC1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.CC.CC.CC1CCC(C(C)(C)C2CCC(C)C(C)C2)CC1C.CC1CCC(C(C)(C)C2CCC(C)CC2)CC1.CC1CCC(C(C)C2CCC(C)C(C)C2)CC1C.CC1CCC(C(C)C2CCC(C)CC2)CC1.CC1CCC(CC2CCC(C)C(C)C2)CC1C.CC1CCC(CC2CCC(C)CC2)CC1.CCC1(C)CC(C)CC(C)(C)C1.CCC1CCC(CC)CC1.CCC1CCCC(CC)C1
InChIInChI=1S/C19H36.C18H34.2C17H32.C16H30.C15H28.C12H24.C10H16.2C10H20.2C2H6/c1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-12-6-8-17(10-14(12)3)16(5)18-9-7-13(2)15(4)11-18;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-6-12(5)8-10(2)7-11(3,4)9-12;1-2-9-7-4-5-8(6-7)10(9)3-1;1-3-9-5-7-10(4-2)8-6-9;1-3-9-6-5-7-10(4-2)8-9;2*1-2/h13-18H,7-12H2,1-6H3;12-18H,6-11H2,1-5H3;13-16H,5-12H2,1-4H3;12-17H,5-11H2,1-4H3;12-16H,4-11H2,1-3H3;12-15H,3-11H2,1-2H3;10H,6-9H2,1-5H3;7-10H,1-6H2;2*9-10H,3-8H2,1-2H3;2*1-2H3
InChIKeyCCZZDPVJVDEIKN-UHFFFAOYSA-N
MW2063.90 g/mol
LogP49.77
Rot. Bonds17

About 1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane

1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane (PubChem CID 164963292) has the molecular formula C148H284 and a molecular weight of 2063.90 g/mol. Its IUPAC name is 1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane
PubChem CID164963292
Molecular FormulaC148H284
Molecular Weight2063.90 g/mol
Exact Mass2062.22
IUPAC Name1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.CC.CC.CC1CCC(C(C)(C)C2CCC(C)C(C)C2)CC1C.CC1CCC(C(C)(C)C2CCC(C)CC2)CC1.CC1CCC(C(C)C2CCC(C)C(C)C2)CC1C.CC1CCC(C(C)C2CCC(C)CC2)CC1.CC1CCC(CC2CCC(C)C(C)C2)CC1C.CC1CCC(CC2CCC(C)CC2)CC1.CCC1(C)CC(C)CC(C)(C)C1.CCC1CCC(CC)CC1.CCC1CCCC(CC)C1
InChIInChI=1S/C19H36.C18H34.2C17H32.C16H30.C15H28.C12H24.C10H16.2C10H20.2C2H6/c1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-12-6-8-17(10-14(12)3)16(5)18-9-7-13(2)15(4)11-18;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-6-12(5)8-10(2)7-11(3,4)9-12;1-2-9-7-4-5-8(6-7)10(9)3-1;1-3-9-5-7-10(4-2)8-6-9;1-3-9-6-5-7-10(4-2)8-9;2*1-2/h13-18H,7-12H2,1-6H3;12-18H,6-11H2,1-5H3;13-16H,5-12H2,1-4H3;12-17H,5-11H2,1-4H3;12-16H,4-11H2,1-3H3;12-15H,3-11H2,1-2H3;10H,6-9H2,1-5H3;7-10H,1-6H2;2*9-10H,3-8H2,1-2H3;2*1-2H3
InChIKeyCCZZDPVJVDEIKN-UHFFFAOYSA-N
XLogP49.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002063.90
LogP ≤ 549.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane?
The IUPAC name of 1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane (CID 164963292) is 1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane is C1CC2C3CCC(C3)C2C1.CC.CC.CC1CCC(C(C)(C)C2CCC(C)C(C)C2)CC1C.CC1CCC(C(C)(C)C2CCC(C)CC2)CC1.CC1CCC(C(C)C2CCC(C)C(C)C2)CC1C.CC1CCC(C(C)C2CCC(C)CC2)CC1.CC1CCC(CC2CCC(C)C(C)C2)CC1C.CC1CCC(CC2CCC(C)CC2)CC1.CCC1(C)CC(C)CC(C)(C)C1.CCC1CCC(CC)CC1.CCC1CCCC(CC)C1.
What is the InChIKey of 1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane?
The InChIKey is CCZZDPVJVDEIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36.C18H34.2C17H32.C16H30.C15H28.C12H24.C10H16.2C10H20.2C2H6/c1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-12-6-8-17(10-14(12)3)16(5)18-9-7-13(2)15(4)11-18;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-6-12(5)8-10(2)7-11(3,4)9-12;1-2-9-7-4-5-8(6-7)10(9)3-1;1-3-9-5-7-10(4-2)8-6-9;1-3-9-6-5-7-10(4-2)8-9;2*1-2/h13-18H,7-12H2,1-6H3;12-18H,6-11H2,1-5H3;13-16H,5-12H2,1-4H3;12-17H,5-11H2,1-4H3;12-16H,4-11H2,1-3H3;12-15H,3-11H2,1-2H3;10H,6-9H2,1-5H3;7-10H,1-6H2;2*9-10H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of 1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane?
1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane has a molecular weight of 2063.90 g/mol, XLogP of 49.77, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 164963292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).