2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane

C244H505F9 — CID 157384723

IUPAC2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane
SMILESCC(C)CCC(C)CCC(C)C.CC(C)CCC(C)CCC(C)C.CC(C)CCC(C)CCC(C)C.CC(C)CCCC(C)(C)CC(C)C.CC(C)CCCC(C)CC(C)C.CC(C)CCCC(CC(C)C)C(F)(F)F.CC(C)CCCC(CC(C)C)C1CC1.CC(C)CCCC(CC(C)C)C1CCC1.CC(C)CCCCC(C)C(C)C.CC(C)CCCC[C@@H](C)C(C)C.CC(C)CCCC[C@H](C)C(C)C.CC(C)CCC[C@@H](C)CC(C)C.CC(C)CCC[C@@H](CC(C)C)C(F)(F)F.CC(C)CCC[C@@H](CC(C)C)C1CC1.CC(C)CCC[C@@H](CC(C)C)C1CCC1.CC(C)CCC[C@H](C)CC(C)C.CC(C)CCC[C@H](CC(C)C)C(F)(F)F.CC(C)CCC[C@H](CC(C)C)C1CC1.CC(C)CCC[C@H](CC(C)C)C1CCC1
InChIInChI=1S/3C15H30.3C14H28.C13H28.3C12H23F3.9C12H26/c3*1-12(2)7-5-10-15(11-13(3)4)14-8-6-9-14;3*1-11(2)6-5-7-14(10-12(3)4)13-8-9-13;1-11(2)8-7-9-13(5,6)10-12(3)4;3*1-9(2)6-5-7-11(8-10(3)4)12(13,14)15;3*1-10(2)6-8-12(5)9-7-11(3)4;3*1-10(2)7-6-8-12(5)9-11(3)4;3*1-10(2)8-6-7-9-12(5)11(3)4/h3*12-15H,5-11H2,1-4H3;3*11-14H,5-10H2,1-4H3;11-12H,7-10H2,1-6H3;3*9-11H,5-8H2,1-4H3;9*10-12H,6-9H2,1-5H3/t2*15-;;2*14-;;;2*11-;;;;;2*12-;;2*12-;/m10.10..10....10.10./s1
InChIKeyBLHJREORZHDQCP-UJXOENRISA-N
MW3610.71 g/mol
LogP90.93
Rot. Bonds120

About 2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane

2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane (PubChem CID 157384723) has the molecular formula C244H505F9 and a molecular weight of 3610.71 g/mol. Its IUPAC name is 2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane.

Molecular Properties

Compound Name2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane
PubChem CID157384723
Molecular FormulaC244H505F9
Molecular Weight3610.71 g/mol
Exact Mass3607.94
IUPAC Name2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane
SMILESCC(C)CCC(C)CCC(C)C.CC(C)CCC(C)CCC(C)C.CC(C)CCC(C)CCC(C)C.CC(C)CCCC(C)(C)CC(C)C.CC(C)CCCC(C)CC(C)C.CC(C)CCCC(CC(C)C)C(F)(F)F.CC(C)CCCC(CC(C)C)C1CC1.CC(C)CCCC(CC(C)C)C1CCC1.CC(C)CCCCC(C)C(C)C.CC(C)CCCC[C@@H](C)C(C)C.CC(C)CCCC[C@H](C)C(C)C.CC(C)CCC[C@@H](C)CC(C)C.CC(C)CCC[C@@H](CC(C)C)C(F)(F)F.CC(C)CCC[C@@H](CC(C)C)C1CC1.CC(C)CCC[C@@H](CC(C)C)C1CCC1.CC(C)CCC[C@H](C)CC(C)C.CC(C)CCC[C@H](CC(C)C)C(F)(F)F.CC(C)CCC[C@H](CC(C)C)C1CC1.CC(C)CCC[C@H](CC(C)C)C1CCC1
InChIInChI=1S/3C15H30.3C14H28.C13H28.3C12H23F3.9C12H26/c3*1-12(2)7-5-10-15(11-13(3)4)14-8-6-9-14;3*1-11(2)6-5-7-14(10-12(3)4)13-8-9-13;1-11(2)8-7-9-13(5,6)10-12(3)4;3*1-9(2)6-5-7-11(8-10(3)4)12(13,14)15;3*1-10(2)6-8-12(5)9-7-11(3)4;3*1-10(2)7-6-8-12(5)9-11(3)4;3*1-10(2)8-6-7-9-12(5)11(3)4/h3*12-15H,5-11H2,1-4H3;3*11-14H,5-10H2,1-4H3;11-12H,7-10H2,1-6H3;3*9-11H,5-8H2,1-4H3;9*10-12H,6-9H2,1-5H3/t2*15-;;2*14-;;;2*11-;;;;;2*12-;;2*12-;/m10.10..10....10.10./s1
InChIKeyBLHJREORZHDQCP-UJXOENRISA-N
XLogP90.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds120
Heavy Atoms253
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003610.71
LogP ≤ 590.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane?
The IUPAC name of 2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane (CID 157384723) is 2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane.
What is the SMILES notation for 2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane?
The canonical SMILES for 2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane is CC(C)CCC(C)CCC(C)C.CC(C)CCC(C)CCC(C)C.CC(C)CCC(C)CCC(C)C.CC(C)CCCC(C)(C)CC(C)C.CC(C)CCCC(C)CC(C)C.CC(C)CCCC(CC(C)C)C(F)(F)F.CC(C)CCCC(CC(C)C)C1CC1.CC(C)CCCC(CC(C)C)C1CCC1.CC(C)CCCCC(C)C(C)C.CC(C)CCCC[C@@H](C)C(C)C.CC(C)CCCC[C@H](C)C(C)C.CC(C)CCC[C@@H](C)CC(C)C.CC(C)CCC[C@@H](CC(C)C)C(F)(F)F.CC(C)CCC[C@@H](CC(C)C)C1CC1.CC(C)CCC[C@@H](CC(C)C)C1CCC1.CC(C)CCC[C@H](C)CC(C)C.CC(C)CCC[C@H](CC(C)C)C(F)(F)F.CC(C)CCC[C@H](CC(C)C)C1CC1.CC(C)CCC[C@H](CC(C)C)C1CCC1.
What is the InChIKey of 2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane?
The InChIKey is BLHJREORZHDQCP-UJXOENRISA-N. The full InChI is InChI=1S/3C15H30.3C14H28.C13H28.3C12H23F3.9C12H26/c3*1-12(2)7-5-10-15(11-13(3)4)14-8-6-9-14;3*1-11(2)6-5-7-14(10-12(3)4)13-8-9-13;1-11(2)8-7-9-13(5,6)10-12(3)4;3*1-9(2)6-5-7-11(8-10(3)4)12(13,14)15;3*1-10(2)6-8-12(5)9-7-11(3)4;3*1-10(2)7-6-8-12(5)9-11(3)4;3*1-10(2)8-6-7-9-12(5)11(3)4/h3*12-15H,5-11H2,1-4H3;3*11-14H,5-10H2,1-4H3;11-12H,7-10H2,1-6H3;3*9-11H,5-8H2,1-4H3;9*10-12H,6-9H2,1-5H3/t2*15-;;2*14-;;;2*11-;;;;;2*12-;;2*12-;/m10.10..10....10.10./s1.
What are the key properties of 2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane?
2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane has a molecular weight of 3610.71 g/mol, XLogP of 90.93, 120 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane is sourced from PubChem (CID 157384723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).