1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane

C16H32 — CID 123891563

IUPAC1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane
SMILESCCC(C(C)C)C(CC)C(C)CC1CC1C
InChIInChI=1S/C16H32/c1-7-15(11(3)4)16(8-2)13(6)10-14-9-12(14)5/h11-16H,7-10H2,1-6H3
InChIKeyGTKAUJAPAAZOAP-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.38
Rot. Bonds7

About 1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane

1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane (PubChem CID 123891563) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane.

Molecular Properties

Compound Name1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane
PubChem CID123891563
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane
SMILESCCC(C(C)C)C(CC)C(C)CC1CC1C
InChIInChI=1S/C16H32/c1-7-15(11(3)4)16(8-2)13(6)10-14-9-12(14)5/h11-16H,7-10H2,1-6H3
InChIKeyGTKAUJAPAAZOAP-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-(2-methylbutyl)cyclopropane
CID 91076617
1-[3-ethyl-2,4,6-trimethyl-5-(4-methyloctyl)tridecyl]-2-methylcyclopropane
CID 123398871
1-(6-ethyl-2,5,7-trimethyldecyl)-2-methylcyclopropane
CID 123235703
1-methyl-2-(2-methylpropyl)cyclopropane
CID 54305717
N-methyl-1-(2-methylcyclopropyl)propan-2-amine
CID 91182461
5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane
CID 90780885
1-(2-bromopropyl)-2-methylcyclopropane
CID 146693854
1,2-dimethylcyclopropane;2-methylpropane;propane
CID 142614988
1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane
CID 91456729
1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane
CID 123523012

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane?
The IUPAC name of 1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane (CID 123891563) is 1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane.
What is the SMILES notation for 1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane?
The canonical SMILES for 1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane is CCC(C(C)C)C(CC)C(C)CC1CC1C.
What is the InChIKey of 1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane?
The InChIKey is GTKAUJAPAAZOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-7-15(11(3)4)16(8-2)13(6)10-14-9-12(14)5/h11-16H,7-10H2,1-6H3.
What are the key properties of 1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane?
1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane has a molecular weight of 224.43 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane is sourced from PubChem (CID 123891563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).