2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane

C129H228 — CID 161167528

IUPAC2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane
SMILESCCC1(C(C)(C)C)CC2CCC1C2(C)C.CCC1(C)C2CC3CC(C2)CC1C3.CCC1(C)CC2CCC1C1C3CCC(CC3)C21.CCC1(C)CC2CCC1C2.CCC1(C2CCCCC2)CCCC1.CCC1(CC)C2CC3CC(C2)CC1C3.CCCC1(CC)C2CC3CC(C2)CC1C3.CCCCC1(CC)C2CC3CC(C2)CC1C3.CCCCCCC1(CC)CC2CCC1CC2
InChIInChI=1S/C17H28.C16H28.C16H30.C15H26.C15H28.C14H24.C13H22.C13H24.C10H18/c1-3-17(2)10-13-8-9-14(17)16-12-6-4-11(5-7-12)15(13)16;1-3-5-6-16(4-2)14-8-12-7-13(10-14)11-15(16)9-12;1-3-5-6-7-12-16(4-2)13-14-8-10-15(16)11-9-14;1-3-5-15(4-2)13-7-11-6-12(9-13)10-14(15)8-11;1-7-15(13(2,3)4)10-11-8-9-12(15)14(11,5)6;1-3-14(4-2)12-6-10-5-11(8-12)9-13(14)7-10;1-3-13(2)11-5-9-4-10(7-11)8-12(13)6-9;1-2-13(10-6-7-11-13)12-8-4-3-5-9-12;1-3-10(2)7-8-4-5-9(10)6-8/h11-16H,3-10H2,1-2H3;12-15H,3-11H2,1-2H3;14-15H,3-13H2,1-2H3;11-14H,3-10H2,1-2H3;11-12H,7-10H2,1-6H3;10-13H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;12H,2-11H2,1H3;8-9H,3-7H2,1-2H3
InChIKeyUQSZSKFKYIALGV-UHFFFAOYSA-N
MW1779.24 g/mol
LogP40.87
Rot. Bonds21

About 2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane

2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane (PubChem CID 161167528) has the molecular formula C129H228 and a molecular weight of 1779.24 g/mol. Its IUPAC name is 2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane.

Molecular Properties

Compound Name2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane
PubChem CID161167528
Molecular FormulaC129H228
Molecular Weight1779.24 g/mol
Exact Mass1777.78
IUPAC Name2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane
SMILESCCC1(C(C)(C)C)CC2CCC1C2(C)C.CCC1(C)C2CC3CC(C2)CC1C3.CCC1(C)CC2CCC1C1C3CCC(CC3)C21.CCC1(C)CC2CCC1C2.CCC1(C2CCCCC2)CCCC1.CCC1(CC)C2CC3CC(C2)CC1C3.CCCC1(CC)C2CC3CC(C2)CC1C3.CCCCC1(CC)C2CC3CC(C2)CC1C3.CCCCCCC1(CC)CC2CCC1CC2
InChIInChI=1S/C17H28.C16H28.C16H30.C15H26.C15H28.C14H24.C13H22.C13H24.C10H18/c1-3-17(2)10-13-8-9-14(17)16-12-6-4-11(5-7-12)15(13)16;1-3-5-6-16(4-2)14-8-12-7-13(10-14)11-15(16)9-12;1-3-5-6-7-12-16(4-2)13-14-8-10-15(16)11-9-14;1-3-5-15(4-2)13-7-11-6-12(9-13)10-14(15)8-11;1-7-15(13(2,3)4)10-11-8-9-12(15)14(11,5)6;1-3-14(4-2)12-6-10-5-11(8-12)9-13(14)7-10;1-3-13(2)11-5-9-4-10(7-11)8-12(13)6-9;1-2-13(10-6-7-11-13)12-8-4-3-5-9-12;1-3-10(2)7-8-4-5-9(10)6-8/h11-16H,3-10H2,1-2H3;12-15H,3-11H2,1-2H3;14-15H,3-13H2,1-2H3;11-14H,3-10H2,1-2H3;11-12H,7-10H2,1-6H3;10-13H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;12H,2-11H2,1H3;8-9H,3-7H2,1-2H3
InChIKeyUQSZSKFKYIALGV-UHFFFAOYSA-N
XLogP40.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001779.24
LogP ≤ 540.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane?
The IUPAC name of 2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane (CID 161167528) is 2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane.
What is the SMILES notation for 2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane?
The canonical SMILES for 2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane is CCC1(C(C)(C)C)CC2CCC1C2(C)C.CCC1(C)C2CC3CC(C2)CC1C3.CCC1(C)CC2CCC1C1C3CCC(CC3)C21.CCC1(C)CC2CCC1C2.CCC1(C2CCCCC2)CCCC1.CCC1(CC)C2CC3CC(C2)CC1C3.CCCC1(CC)C2CC3CC(C2)CC1C3.CCCCC1(CC)C2CC3CC(C2)CC1C3.CCCCCCC1(CC)CC2CCC1CC2.
What is the InChIKey of 2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane?
The InChIKey is UQSZSKFKYIALGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28.C16H28.C16H30.C15H26.C15H28.C14H24.C13H22.C13H24.C10H18/c1-3-17(2)10-13-8-9-14(17)16-12-6-4-11(5-7-12)15(13)16;1-3-5-6-16(4-2)14-8-12-7-13(10-14)11-15(16)9-12;1-3-5-6-7-12-16(4-2)13-14-8-10-15(16)11-9-14;1-3-5-15(4-2)13-7-11-6-12(9-13)10-14(15)8-11;1-7-15(13(2,3)4)10-11-8-9-12(15)14(11,5)6;1-3-14(4-2)12-6-10-5-11(8-12)9-13(14)7-10;1-3-13(2)11-5-9-4-10(7-11)8-12(13)6-9;1-2-13(10-6-7-11-13)12-8-4-3-5-9-12;1-3-10(2)7-8-4-5-9(10)6-8/h11-16H,3-10H2,1-2H3;12-15H,3-11H2,1-2H3;14-15H,3-13H2,1-2H3;11-14H,3-10H2,1-2H3;11-12H,7-10H2,1-6H3;10-13H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;12H,2-11H2,1H3;8-9H,3-7H2,1-2H3.
What are the key properties of 2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane?
2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane has a molecular weight of 1779.24 g/mol, XLogP of 40.87, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethyladamantane;2-tert-butyl-2-ethyl-7,7-dimethylbicyclo[2.2.1]heptane;2,2-diethyladamantane;(1-ethylcyclopentyl)cyclohexane;2-ethyl-2-hexylbicyclo[2.2.2]octane;2-ethyl-2-methyladamantane;2-ethyl-2-methylbicyclo[2.2.1]heptane;4-ethyl-4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;2-ethyl-2-propyladamantane is sourced from PubChem (CID 161167528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).