bis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane

C184H370F2 — CID 165004722

IUPACbis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane
SMILESCC(C)C1CC(C(C)(C)C)C1.CC(C)C1CC(C(C)(C)C)C1.CC(C)CC12CCC(CC1)CC2.CC(C)CC1CC2(CCC2)C1.CC(C)CC1CCC(C)(C)CC1.CC(C)CC1CCC(C)CC1.CC(C)CC1CCC(F)(F)CC1.CC(C)CC1CCC2(CCC2)CC1.CC(C)CC1CCCCC1.CC(C)CCCC(C)C.CC(C)CCCCC(C)C.CC(C)[C@@H](C)C1CCCCC1.CC(C)[C@H](C)C1CCCCC1.CCC(C)(C)CCC(C)C.CCC1(CC)CC(C(C)C)C1.CCCC(CCC)CC(C)C.CCCCCCCC(C)C
InChIInChI=1S/C13H24.C12H22.C12H24.C11H20.6C11H22.C11H24.C10H18F2.C10H20.3C10H22.C9H20/c1-11(2)10-12-4-8-13(9-5-12)6-3-7-13;1-10(2)9-12-6-3-11(4-7-12)5-8-12;1-10(2)9-11-5-7-12(3,4)8-6-11;1-9(2)6-10-7-11(8-10)4-3-5-11;2*1-8(2)9-6-10(7-9)11(3,4)5;1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)10(3)11-7-5-4-6-8-11;1-5-11(6-2)7-10(8-11)9(3)4;1-5-7-11(8-6-2)9-10(3)4;1-8(2)7-9-3-5-10(11,12)6-4-9;1-9(2)8-10-6-4-3-5-7-10;1-9(2)7-5-6-8-10(3)4;1-6-10(4,5)8-7-9(2)3;1-4-5-6-7-8-9-10(2)3;1-8(2)6-5-7-9(3)4/h11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;10-11H,5-9H2,1-4H3;9-10H,3-8H2,1-2H3;2*8-10H,6-7H2,1-5H3;3*9-11H,4-8H2,1-3H3;9-10H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;8-9H,3-7H2,1-2H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;9H,6-8H2,1-5H3;10H,4-9H2,1-3H3;8-9H,5-7H2,1-4H3/t;;;;;;;2*10-;;;;;;;;/m.......10......../s1
InChIKeyIUBLOUXNTMGQER-VUQNUPIYSA-N
MW2620.98 g/mol
LogP66.03
Rot. Bonds48

About bis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane

bis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane (PubChem CID 165004722) has the molecular formula C184H370F2 and a molecular weight of 2620.98 g/mol. Its IUPAC name is bis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane.

Molecular Properties

Compound Namebis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane
PubChem CID165004722
Molecular FormulaC184H370F2
Molecular Weight2620.98 g/mol
Exact Mass2618.89
IUPAC Namebis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane
SMILESCC(C)C1CC(C(C)(C)C)C1.CC(C)C1CC(C(C)(C)C)C1.CC(C)CC12CCC(CC1)CC2.CC(C)CC1CC2(CCC2)C1.CC(C)CC1CCC(C)(C)CC1.CC(C)CC1CCC(C)CC1.CC(C)CC1CCC(F)(F)CC1.CC(C)CC1CCC2(CCC2)CC1.CC(C)CC1CCCCC1.CC(C)CCCC(C)C.CC(C)CCCCC(C)C.CC(C)[C@@H](C)C1CCCCC1.CC(C)[C@H](C)C1CCCCC1.CCC(C)(C)CCC(C)C.CCC1(CC)CC(C(C)C)C1.CCCC(CCC)CC(C)C.CCCCCCCC(C)C
InChIInChI=1S/C13H24.C12H22.C12H24.C11H20.6C11H22.C11H24.C10H18F2.C10H20.3C10H22.C9H20/c1-11(2)10-12-4-8-13(9-5-12)6-3-7-13;1-10(2)9-12-6-3-11(4-7-12)5-8-12;1-10(2)9-11-5-7-12(3,4)8-6-11;1-9(2)6-10-7-11(8-10)4-3-5-11;2*1-8(2)9-6-10(7-9)11(3,4)5;1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)10(3)11-7-5-4-6-8-11;1-5-11(6-2)7-10(8-11)9(3)4;1-5-7-11(8-6-2)9-10(3)4;1-8(2)7-9-3-5-10(11,12)6-4-9;1-9(2)8-10-6-4-3-5-7-10;1-9(2)7-5-6-8-10(3)4;1-6-10(4,5)8-7-9(2)3;1-4-5-6-7-8-9-10(2)3;1-8(2)6-5-7-9(3)4/h11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;10-11H,5-9H2,1-4H3;9-10H,3-8H2,1-2H3;2*8-10H,6-7H2,1-5H3;3*9-11H,4-8H2,1-3H3;9-10H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;8-9H,3-7H2,1-2H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;9H,6-8H2,1-5H3;10H,4-9H2,1-3H3;8-9H,5-7H2,1-4H3/t;;;;;;;2*10-;;;;;;;;/m.......10......../s1
InChIKeyIUBLOUXNTMGQER-VUQNUPIYSA-N
XLogP66.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds48
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002620.98
LogP ≤ 566.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane?
The IUPAC name of bis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane (CID 165004722) is bis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane.
What is the SMILES notation for bis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane?
The canonical SMILES for bis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane is CC(C)C1CC(C(C)(C)C)C1.CC(C)C1CC(C(C)(C)C)C1.CC(C)CC12CCC(CC1)CC2.CC(C)CC1CC2(CCC2)C1.CC(C)CC1CCC(C)(C)CC1.CC(C)CC1CCC(C)CC1.CC(C)CC1CCC(F)(F)CC1.CC(C)CC1CCC2(CCC2)CC1.CC(C)CC1CCCCC1.CC(C)CCCC(C)C.CC(C)CCCCC(C)C.CC(C)[C@@H](C)C1CCCCC1.CC(C)[C@H](C)C1CCCCC1.CCC(C)(C)CCC(C)C.CCC1(CC)CC(C(C)C)C1.CCCC(CCC)CC(C)C.CCCCCCCC(C)C.
What is the InChIKey of bis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane?
The InChIKey is IUBLOUXNTMGQER-VUQNUPIYSA-N. The full InChI is InChI=1S/C13H24.C12H22.C12H24.C11H20.6C11H22.C11H24.C10H18F2.C10H20.3C10H22.C9H20/c1-11(2)10-12-4-8-13(9-5-12)6-3-7-13;1-10(2)9-12-6-3-11(4-7-12)5-8-12;1-10(2)9-11-5-7-12(3,4)8-6-11;1-9(2)6-10-7-11(8-10)4-3-5-11;2*1-8(2)9-6-10(7-9)11(3,4)5;1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)10(3)11-7-5-4-6-8-11;1-5-11(6-2)7-10(8-11)9(3)4;1-5-7-11(8-6-2)9-10(3)4;1-8(2)7-9-3-5-10(11,12)6-4-9;1-9(2)8-10-6-4-3-5-7-10;1-9(2)7-5-6-8-10(3)4;1-6-10(4,5)8-7-9(2)3;1-4-5-6-7-8-9-10(2)3;1-8(2)6-5-7-9(3)4/h11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;10-11H,5-9H2,1-4H3;9-10H,3-8H2,1-2H3;2*8-10H,6-7H2,1-5H3;3*9-11H,4-8H2,1-3H3;9-10H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;8-9H,3-7H2,1-2H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;9H,6-8H2,1-5H3;10H,4-9H2,1-3H3;8-9H,5-7H2,1-4H3/t;;;;;;;2*10-;;;;;;;;/m.......10......../s1.
What are the key properties of bis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane?
bis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane has a molecular weight of 2620.98 g/mol, XLogP of 66.03, 48 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-3-propan-2-ylcyclobutane);1,1-diethyl-3-propan-2-ylcyclobutane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,6-dimethylheptane;1,1-dimethyl-4-(2-methylpropyl)cyclohexane;2,7-dimethyloctane;[(2S)-3-methylbutan-2-yl]cyclohexane;[(2R)-3-methylbutan-2-yl]cyclohexane;1-methyl-4-(2-methylpropyl)cyclohexane;2-methylnonane;1-(2-methylpropyl)bicyclo[2.2.2]octane;2-methylpropylcyclohexane;2-methyl-4-propylheptane;2-(2-methylpropyl)spiro[3.3]heptane;7-(2-methylpropyl)spiro[3.5]nonane;2,5,5-trimethylheptane is sourced from PubChem (CID 165004722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).