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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Related Compounds

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CID 156844908
(2R)-2-ethyl-1,1-difluorocyclopropane
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ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
2-methyl-2-(3-methylbutyl)cyclopropan-1-amine
CID 62389533
1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane
CID 123993522
(2-ethyl-2,4,4,7-tetramethyloctyl)cyclopropane
CID 123775313
2,5,5,6-tetramethyloctane
CID 53424276
2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane
CID 58247817
3-ethyl-2,3,6-trimethylheptane
CID 53428909
[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol
CID 89425175
2,5,8-trimethylnonan-5-ol
CID 58574498
3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane
CID 58676217

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).