1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane

C12H22 — CID 123234832

IUPAC1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane
SMILESCCC1(CC2CC2C)CC1(C)C
InChIInChI=1S/C12H22/c1-5-12(8-11(12,3)4)7-10-6-9(10)2/h9-10H,5-8H2,1-4H3
InChIKeyZVEXOYHKEDEPTN-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds3

About 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane

1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane (PubChem CID 123234832) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane.

Molecular Properties

Compound Name1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane
PubChem CID123234832
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane
SMILESCCC1(CC2CC2C)CC1(C)C
InChIInChI=1S/C12H22/c1-5-12(8-11(12,3)4)7-10-6-9(10)2/h9-10H,5-8H2,1-4H3
InChIKeyZVEXOYHKEDEPTN-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
(1S)-1-methyl-2-[[(2R)-2-methylcyclopropyl]methyl]cyclopropane
CID 59524466
trans-(1R,2S)-1-methyl-2-[2-[(1R,2S)-2-methylcyclopropyl]ethyl]cyclopropane
CID 23638911
ethane;1-ethyl-2-methylcyclopropane;propane
CID 142903717
4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethyl-5-[(2-methylcyclopropyl)methyl]-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane
CID 149289189
1,2-dimethylcyclopropane;propane
CID 143337919
1-methyl-2-(2-methylbutyl)cyclopropane
CID 91076617
ethane;1-methyl-2-propylcyclopropane
CID 144710386
1-methyl-2-(2-methylpropyl)cyclopropane
CID 54305717
1,2-dimethylcyclopropane;2-methylpropane;propane
CID 142614988
1-ethyl-1,2,2-trimethylcyclopropane
CID 13115325

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane?
The IUPAC name of 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane (CID 123234832) is 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane.
What is the SMILES notation for 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane?
The canonical SMILES for 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane is CCC1(CC2CC2C)CC1(C)C.
What is the InChIKey of 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane?
The InChIKey is ZVEXOYHKEDEPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-12(8-11(12,3)4)7-10-6-9(10)2/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane?
1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane is sourced from PubChem (CID 123234832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).