1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane

C14H28 — CID 123606355

IUPAC1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane
SMILESCCC1CC1(C)C(C)CC(C)C(C)C
InChIInChI=1S/C14H28/c1-7-13-9-14(13,6)12(5)8-11(4)10(2)3/h10-13H,7-9H2,1-6H3
InChIKeyGMFOZBAKWKDJFE-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds5

About 1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane

1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane (PubChem CID 123606355) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane.

Molecular Properties

Compound Name1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane
PubChem CID123606355
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane
SMILESCCC1CC1(C)C(C)CC(C)C(C)C
InChIInChI=1S/C14H28/c1-7-13-9-14(13,6)12(5)8-11(4)10(2)3/h10-13H,7-9H2,1-6H3
InChIKeyGMFOZBAKWKDJFE-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane?
The IUPAC name of 1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane (CID 123606355) is 1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane.
What is the SMILES notation for 1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane?
The canonical SMILES for 1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane is CCC1CC1(C)C(C)CC(C)C(C)C.
What is the InChIKey of 1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane?
The InChIKey is GMFOZBAKWKDJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-7-13-9-14(13,6)12(5)8-11(4)10(2)3/h10-13H,7-9H2,1-6H3.
What are the key properties of 1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane?
1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane is sourced from PubChem (CID 123606355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).