1,1-diethyl-3-methylcyclobutane;methane

C11H26 — CID 171820543

IUPAC1,1-diethyl-3-methylcyclobutane;methane
SMILESC.C.CCC1(CC)CC(C)C1
InChIInChI=1S/C9H18.2CH4/c1-4-9(5-2)6-8(3)7-9;;/h8H,4-7H2,1-3H3;2*1H4
InChIKeyJKZBPGWVJRANMA-UHFFFAOYSA-N
MW158.33 g/mol
LogP4.49
Rot. Bonds2

About 1,1-diethyl-3-methylcyclobutane;methane

1,1-diethyl-3-methylcyclobutane;methane (PubChem CID 171820543) has the molecular formula C11H26 and a molecular weight of 158.33 g/mol. Its IUPAC name is 1,1-diethyl-3-methylcyclobutane;methane.

Molecular Properties

Compound Name1,1-diethyl-3-methylcyclobutane;methane
PubChem CID171820543
Molecular FormulaC11H26
Molecular Weight158.33 g/mol
Exact Mass158.20
IUPAC Name1,1-diethyl-3-methylcyclobutane;methane
SMILESC.C.CCC1(CC)CC(C)C1
InChIInChI=1S/C9H18.2CH4/c1-4-9(5-2)6-8(3)7-9;;/h8H,4-7H2,1-3H3;2*1H4
InChIKeyJKZBPGWVJRANMA-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-diethyl-3,5-dimethylcyclohexane
CID 91010762
3,3-diethylbicyclo[3.1.1]heptane
CID 140814680
N-[(1-ethyl-3-methylcyclobutyl)methyl]-N-methylethanamine
CID 143174060
butane;1,2,2,4,6,6-hexamethylpiperidine;methane
CID 158536756
1,1-diethyl-3-methylcyclohexane
CID 19090157
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine
CID 174352826
1,2,2,4,6,6-hexamethylpiperidine;methane
CID 159576451
2,2,4,6,6-pentamethyl-1-propylpiperidine
CID 23377309
1-ethyl-3-methyl-1-(2-methylpropyl)cyclopentane
CID 123256841
1,1-diethyl-3-propan-2-ylcyclobutane
CID 162172993

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-methylcyclobutane;methane?
The IUPAC name of 1,1-diethyl-3-methylcyclobutane;methane (CID 171820543) is 1,1-diethyl-3-methylcyclobutane;methane.
What is the SMILES notation for 1,1-diethyl-3-methylcyclobutane;methane?
The canonical SMILES for 1,1-diethyl-3-methylcyclobutane;methane is C.C.CCC1(CC)CC(C)C1.
What is the InChIKey of 1,1-diethyl-3-methylcyclobutane;methane?
The InChIKey is JKZBPGWVJRANMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.2CH4/c1-4-9(5-2)6-8(3)7-9;;/h8H,4-7H2,1-3H3;2*1H4.
What are the key properties of 1,1-diethyl-3-methylcyclobutane;methane?
1,1-diethyl-3-methylcyclobutane;methane has a molecular weight of 158.33 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-methylcyclobutane;methane is sourced from PubChem (CID 171820543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).