1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane

C14H28 — CID 123787972

IUPAC1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane
SMILESCCCC(CC)C1(C)C(C)C1(C)CC
InChIInChI=1S/C14H28/c1-7-10-12(8-2)14(6)11(4)13(14,5)9-3/h11-12H,7-10H2,1-6H3
InChIKeySLAJJSZXJOPMBU-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds5

About 1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane

1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane (PubChem CID 123787972) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane.

Molecular Properties

Compound Name1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane
PubChem CID123787972
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane
SMILESCCCC(CC)C1(C)C(C)C1(C)CC
InChIInChI=1S/C14H28/c1-7-10-12(8-2)14(6)11(4)13(14,5)9-3/h11-12H,7-10H2,1-6H3
InChIKeySLAJJSZXJOPMBU-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

1-ethyl-1,2,3-trimethyl-2-propan-2-ylcyclopropane
CID 91546237
N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine
CID 123713297
1-hexan-3-yl-1-methylcyclobutane
CID 91314067
1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane
CID 123263555
1,2-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 141199868
4-(1,2-dimethylcyclopropyl)heptanal
CID 123435086
1,1,2,3-tetramethyl-2-propylcyclopropane
CID 90999525
1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane
CID 558354
1-ethyl-1-heptan-4-yl-2-methylcyclodecane
CID 123827321
1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine
CID 123342047
1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane
CID 123758050
1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane?
The IUPAC name of 1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane (CID 123787972) is 1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane.
What is the SMILES notation for 1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane?
The canonical SMILES for 1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane is CCCC(CC)C1(C)C(C)C1(C)CC.
What is the InChIKey of 1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane?
The InChIKey is SLAJJSZXJOPMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-7-10-12(8-2)14(6)11(4)13(14,5)9-3/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane?
1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane 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-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane is sourced from PubChem (CID 123787972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).