1-ethyl-3-methylcyclobutane

C7H13+ — CID 91562116

IUPAC1-ethyl-3-methylcyclobutane
SMILES[CH2+]CC1CC(C)C1
InChIInChI=1S/C7H13/c1-3-7-4-6(2)5-7/h6-7H,1,3-5H2,2H3/q+1
InChIKeyIMFXSHACQHBPSN-UHFFFAOYSA-N
MW97.18 g/mol
LogP2.26
Rot. Bonds1

About 1-ethyl-3-methylcyclobutane

1-ethyl-3-methylcyclobutane (PubChem CID 91562116) has the molecular formula C7H13+ and a molecular weight of 97.18 g/mol. Its IUPAC name is 1-ethyl-3-methylcyclobutane.

Molecular Properties

Compound Name1-ethyl-3-methylcyclobutane
PubChem CID91562116
Molecular FormulaC7H13+
Molecular Weight97.18 g/mol
Exact Mass97.10
IUPAC Name1-ethyl-3-methylcyclobutane
SMILES[CH2+]CC1CC(C)C1
InChIInChI=1S/C7H13/c1-3-7-4-6(2)5-7/h6-7H,1,3-5H2,2H3/q+1
InChIKeyIMFXSHACQHBPSN-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(3R,5R)-3,5-dimethylcyclohexyl]methanamine
CID 124506919
[(3R,5S)-3,5-dimethylcyclohexyl]methyl-trimethylgermane
CID 13499697
2-(3-methylcyclobutyl)ethanol
CID 59157244
1,3-dimethyl-5-propylcyclohexane
CID 13144142
1,3-dimethyl-5-propylcyclohexane;ethane
CID 142054568
(3,5-dimethylcyclohexyl)methylhydrazine
CID 105220805
3-(3-methylcyclobutyl)propan-1-amine
CID 119055095
[(1R,3R,5R)-3-ethyl-5-methylcyclohexyl]methanol
CID 14940084
1-(3,5-dimethylcyclohexyl)propan-2-amine
CID 70312991
2-(3-methylcyclobutyl)acetamide
CID 145484105
1-methyl-2-[(3-methylcyclobutyl)methyl]cyclobutane
CID 123345724
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylcyclobutane?
The IUPAC name of 1-ethyl-3-methylcyclobutane (CID 91562116) is 1-ethyl-3-methylcyclobutane.
What is the SMILES notation for 1-ethyl-3-methylcyclobutane?
The canonical SMILES for 1-ethyl-3-methylcyclobutane is [CH2+]CC1CC(C)C1.
What is the InChIKey of 1-ethyl-3-methylcyclobutane?
The InChIKey is IMFXSHACQHBPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13/c1-3-7-4-6(2)5-7/h6-7H,1,3-5H2,2H3/q+1.
What are the key properties of 1-ethyl-3-methylcyclobutane?
1-ethyl-3-methylcyclobutane has a molecular weight of 97.18 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylcyclobutane is sourced from PubChem (CID 91562116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).