1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane

C14H28 — CID 123492953

IUPAC1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane
SMILESCCCCC(CC)CC1(C)CC1(C)C
InChIInChI=1S/C14H28/c1-6-8-9-12(7-2)10-14(5)11-13(14,3)4/h12H,6-11H2,1-5H3
InChIKeySVTYXVRNJQNPPV-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.03
Rot. Bonds6

About 1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane

1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane (PubChem CID 123492953) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane.

Molecular Properties

Compound Name1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane
PubChem CID123492953
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane
SMILESCCCCC(CC)CC1(C)CC1(C)C
InChIInChI=1S/C14H28/c1-6-8-9-12(7-2)10-14(5)11-13(14,3)4/h12H,6-11H2,1-5H3
InChIKeySVTYXVRNJQNPPV-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
1-(2-ethylhexyl)cycloheptan-1-ol
CID 63406622
1-(2-ethylhexyl)cyclohexan-1-ol
CID 63409044
1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol
CID 65085643
[1-(2-ethylhexyl)cyclohexyl]methanamine
CID 63522503
3-(2-ethylhexyl)-3-methylcyclopentan-1-ol
CID 116539984
3-amino-1-(2-ethylhexyl)cyclobutan-1-ol
CID 80561259
5-ethylnonane;5-propylnonane
CID 157441807
2-ethyl-2-(2-ethylhexyl)pyrrolidine
CID 66468510
1-(2-ethylhexyl)cyclohexane-1-carbonitrile
CID 65378046
1-(2-ethylhexyl)-4-methylcyclohexan-1-amine
CID 63407642
4-(2-ethylhexyl)-1-methylazepan-4-ol
CID 65075552

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane?
The IUPAC name of 1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane (CID 123492953) is 1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane.
What is the SMILES notation for 1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane?
The canonical SMILES for 1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane is CCCCC(CC)CC1(C)CC1(C)C.
What is the InChIKey of 1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane?
The InChIKey is SVTYXVRNJQNPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-8-9-12(7-2)10-14(5)11-13(14,3)4/h12H,6-11H2,1-5H3.
What are the key properties of 1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane?
1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane has a molecular weight of 196.38 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane is sourced from PubChem (CID 123492953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).