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

C14H28 — CID 91584385

IUPAC1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane
SMILESCCC1CC1(C)C(C)(C)CCC(C)C
InChIInChI=1S/C14H28/c1-7-12-10-14(12,6)13(4,5)9-8-11(2)3/h11-12H,7-10H2,1-6H3
InChIKeyUZVCMUJRVXEWIH-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds5

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

1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane (PubChem CID 91584385) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane.

Molecular Properties

Compound Name1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane
PubChem CID91584385
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane
SMILESCCC1CC1(C)C(C)(C)CCC(C)C
InChIInChI=1S/C14H28/c1-7-12-10-14(12,6)13(4,5)9-8-11(2)3/h11-12H,7-10H2,1-6H3
InChIKeyUZVCMUJRVXEWIH-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane?
The IUPAC name of 1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane (CID 91584385) is 1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane.
What is the SMILES notation for 1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane?
The canonical SMILES for 1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane is CCC1CC1(C)C(C)(C)CCC(C)C.
What is the InChIKey of 1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane?
The InChIKey is UZVCMUJRVXEWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-7-12-10-14(12,6)13(4,5)9-8-11(2)3/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane?
1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane is sourced from PubChem (CID 91584385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).