1,3-diethyl-1-methylcyclobutane

C9H18 — CID 21053928

IUPAC1,3-diethyl-1-methylcyclobutane
SMILESCCC1CC(C)(CC)C1
InChIInChI=1S/C9H18/c1-4-8-6-9(3,5-2)7-8/h8H,4-7H2,1-3H3
InChIKeyGKVIZRQZVORYHH-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds2

About 1,3-diethyl-1-methylcyclobutane

1,3-diethyl-1-methylcyclobutane (PubChem CID 21053928) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1,3-diethyl-1-methylcyclobutane.

Molecular Properties

Compound Name1,3-diethyl-1-methylcyclobutane
PubChem CID21053928
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1,3-diethyl-1-methylcyclobutane
SMILESCCC1CC(C)(CC)C1
InChIInChI=1S/C9H18/c1-4-8-6-9(3,5-2)7-8/h8H,4-7H2,1-3H3
InChIKeyGKVIZRQZVORYHH-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-diethyl-1-methylcyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-3-methylcyclobutan-1-amine
CID 121388624
1-(3-ethyl-1-methylcyclobutyl)-N-methylmethanamine
CID 144959296
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
1,4-diethyl-1-methylcyclohexane;ethane
CID 144637328
1-ethyl-1-methyl-3-non-6-enylcyclobutane
CID 123183084
4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol
CID 123304647
3-ethyl-1,1-difluorocyclobutane
CID 67229999
1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane
CID 143683574
(3-ethyl-1-methylcyclopentyl)methanamine
CID 65407293
2-(3-ethyl-3-methylcyclobutyl)ethyl formate
CID 88860718
1-ethyl-1-methyl-3-(2-methylcyclopropyl)cyclobutane
CID 123695145
[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1-methylcyclobutane?
The IUPAC name of 1,3-diethyl-1-methylcyclobutane (CID 21053928) is 1,3-diethyl-1-methylcyclobutane.
What is the SMILES notation for 1,3-diethyl-1-methylcyclobutane?
The canonical SMILES for 1,3-diethyl-1-methylcyclobutane is CCC1CC(C)(CC)C1.
What is the InChIKey of 1,3-diethyl-1-methylcyclobutane?
The InChIKey is GKVIZRQZVORYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-4-8-6-9(3,5-2)7-8/h8H,4-7H2,1-3H3.
What are the key properties of 1,3-diethyl-1-methylcyclobutane?
1,3-diethyl-1-methylcyclobutane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1-methylcyclobutane is sourced from PubChem (CID 21053928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).