1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane

C16H30 — CID 123800204

IUPAC1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane
SMILESCCC1(C(C)CC(C)=CC(C)C(C)C)CC1
InChIInChI=1S/C16H30/c1-7-16(8-9-16)15(6)11-13(4)10-14(5)12(2)3/h10,12,14-15H,7-9,11H2,1-6H3
InChIKeyNQMWTFQNPAIWCU-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.44
Rot. Bonds6

About 1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane

1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane (PubChem CID 123800204) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane
PubChem CID123800204
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane
SMILESCCC1(C(C)CC(C)=CC(C)C(C)C)CC1
InChIInChI=1S/C16H30/c1-7-16(8-9-16)15(6)11-13(4)10-14(5)12(2)3/h10,12,14-15H,7-9,11H2,1-6H3
InChIKeyNQMWTFQNPAIWCU-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2,4,5-trimethylhex-2-en-1-amine
CID 131259023
1-ethyl-1-propan-2-ylcyclopropane
CID 22977902
(5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene
CID 102247681
1-(1-ethylcyclopropyl)-2,2-dimethylpropan-1-amine
CID 130554169
N-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine
CID 123300900
1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol
CID 106439789
(E)-4,6-dimethyloct-3-en-2-ol
CID 87272848
1-ethyl-1-(2-methylpentan-3-yl)cyclobutane
CID 170720683
(Z)-3-methoxy-5,6-dimethylhept-3-ene
CID 143080239
4,6-dimethyloct-3-en-2-ol
CID 91470833
1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane
CID 123956694
1-(1-ethylcyclopropyl)prop-2-ene-1,2-diamine
CID 145401139

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane?
The IUPAC name of 1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane (CID 123800204) is 1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane.
What is the SMILES notation for 1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane?
The canonical SMILES for 1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane is CCC1(C(C)CC(C)=CC(C)C(C)C)CC1.
What is the InChIKey of 1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane?
The InChIKey is NQMWTFQNPAIWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-7-16(8-9-16)15(6)11-13(4)10-14(5)12(2)3/h10,12,14-15H,7-9,11H2,1-6H3.
What are the key properties of 1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane?
1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane has a molecular weight of 222.42 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane is sourced from PubChem (CID 123800204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).