3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane

C60H124F2 — CID 157124298

IUPAC3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane
SMILESCC(C)CCCC1CC1C(C)C.CC(C)CCCCC(C)(C)C(C)C.CC(C)CCCCC(F)(F)C(C)C.CC(C)CCCCC1(C(C)C)CC1.CC(C)CCCCCC(C)C
InChIInChI=1S/C13H26.C13H28.C12H24.C11H22F2.C11H24/c1-11(2)7-5-6-8-13(9-10-13)12(3)4;1-11(2)9-7-8-10-13(5,6)12(3)4;1-9(2)6-5-7-11-8-12(11)10(3)4;1-9(2)7-5-6-8-11(12,13)10(3)4;1-10(2)8-6-5-7-9-11(3)4/h11-12H,5-10H2,1-4H3;11-12H,7-10H2,1-6H3;9-12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3
InChIKeyAIIINXZLQUALBD-UHFFFAOYSA-N
MW883.65 g/mol
LogP22.37
Rot. Bonds29

About 3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane

3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane (PubChem CID 157124298) has the molecular formula C60H124F2 and a molecular weight of 883.65 g/mol. Its IUPAC name is 3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane.

Molecular Properties

Compound Name3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane
PubChem CID157124298
Molecular FormulaC60H124F2
Molecular Weight883.65 g/mol
Exact Mass882.97
IUPAC Name3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane
SMILESCC(C)CCCC1CC1C(C)C.CC(C)CCCCC(C)(C)C(C)C.CC(C)CCCCC(F)(F)C(C)C.CC(C)CCCCC1(C(C)C)CC1.CC(C)CCCCCC(C)C
InChIInChI=1S/C13H26.C13H28.C12H24.C11H22F2.C11H24/c1-11(2)7-5-6-8-13(9-10-13)12(3)4;1-11(2)9-7-8-10-13(5,6)12(3)4;1-9(2)6-5-7-11-8-12(11)10(3)4;1-9(2)7-5-6-8-11(12,13)10(3)4;1-10(2)8-6-5-7-9-11(3)4/h11-12H,5-10H2,1-4H3;11-12H,7-10H2,1-6H3;9-12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3
InChIKeyAIIINXZLQUALBD-UHFFFAOYSA-N
XLogP22.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.65
LogP ≤ 522.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane with MolForge

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Related Compounds

1-(4-methylpentyl)-2-propan-2-ylcyclopropane
CID 90741297
1-(3-ethyl-4-methyldecyl)-2-(15,15,16-trimethylheptadec-5-en-2-yl)cyclopropane
CID 123582467
1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane
CID 123777662
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
3,3-difluoro-2-methylnonane
CID 121443889
1-(3-methylbutyl)-1-propan-2-ylcyclopentane
CID 140662970
3,3-difluoro-2-methylheptadecane
CID 22951834
1,2-bis(2-methylpropyl)cyclopropane;2,6-dimethylheptane;1,1-dimethyl-2-(3-methylbutyl)cyclobutane;1,1-dimethyl-2-(3-methylbutyl)cyclopropane;1,1-dimethyl-2-(4-methylpentyl)cyclopropane;1,1-dimethyl-2-(2-methylpropyl)cyclobutane;2,7-dimethyloctane;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclobutane;2-fluoro-2,6-dimethylheptane;3-fluoropentane;1-(3-methylbutyl)-1-propan-2-ylcyclopropane;1-(2-methylpropyl)-3-propan-2-ylcyclobutane;1-(2-methylpropyl)-2-propan-2-ylcyclopropane;bis(2,2,6-trimethylheptane);2,3,6-trimethylheptane;2,4,6-trimethylheptane
CID 158339052
2,3,3-trimethyloctadecane
CID 90966938
1-(6-methylheptyl)cyclopropan-1-ol
CID 118959166
13-methyltetradecylcyclopentane
CID 123698808
1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane
CID 166547722

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane?
The IUPAC name of 3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane (CID 157124298) is 3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane.
What is the SMILES notation for 3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane?
The canonical SMILES for 3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane is CC(C)CCCC1CC1C(C)C.CC(C)CCCCC(C)(C)C(C)C.CC(C)CCCCC(F)(F)C(C)C.CC(C)CCCCC1(C(C)C)CC1.CC(C)CCCCCC(C)C.
What is the InChIKey of 3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane?
The InChIKey is AIIINXZLQUALBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26.C13H28.C12H24.C11H22F2.C11H24/c1-11(2)7-5-6-8-13(9-10-13)12(3)4;1-11(2)9-7-8-10-13(5,6)12(3)4;1-9(2)6-5-7-11-8-12(11)10(3)4;1-9(2)7-5-6-8-11(12,13)10(3)4;1-10(2)8-6-5-7-9-11(3)4/h11-12H,5-10H2,1-4H3;11-12H,7-10H2,1-6H3;9-12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3.
What are the key properties of 3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane?
3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane has a molecular weight of 883.65 g/mol, XLogP of 22.37, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane is sourced from PubChem (CID 157124298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).