3-ethyl-1-methyl-1-pentan-2-ylcyclobutane

C12H24 — CID 123384644

IUPAC3-ethyl-1-methyl-1-pentan-2-ylcyclobutane
SMILESCCCC(C)C1(C)CC(CC)C1
InChIInChI=1S/C12H24/c1-5-7-10(3)12(4)8-11(6-2)9-12/h10-11H,5-9H2,1-4H3
InChIKeyFLKSIECZPDUXIA-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds4

About 3-ethyl-1-methyl-1-pentan-2-ylcyclobutane

3-ethyl-1-methyl-1-pentan-2-ylcyclobutane (PubChem CID 123384644) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-pentan-2-ylcyclobutane.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-pentan-2-ylcyclobutane
PubChem CID123384644
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3-ethyl-1-methyl-1-pentan-2-ylcyclobutane
SMILESCCCC(C)C1(C)CC(CC)C1
InChIInChI=1S/C12H24/c1-5-7-10(3)12(4)8-11(6-2)9-12/h10-11H,5-9H2,1-4H3
InChIKeyFLKSIECZPDUXIA-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Butyl-1-methyl-2-propylcyclopropane
CID 39066
1,2-Diethylcyclobutane
CID 43552
tert-Butylcyclohexane
CID 18508
2,2,8-Trimethyldecane
CID 522038
2,2,3-Trimethyldecane
CID 112483
3,3,4-Trimethyldecane
CID 39499
2,2,4-Trimethyldecane
CID 545792
2,2,3,3,5,6,6-Heptamethylheptane
CID 23652
2,2,6-Trimethyldecane
CID 545798
Pentamethylheptane
CID 3033849
2,2,3-Trimethylnonane
CID 41461
1-Methyl-1-(1-methylethyl)cyclohexane
CID 519284

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-pentan-2-ylcyclobutane?
The IUPAC name of 3-ethyl-1-methyl-1-pentan-2-ylcyclobutane (CID 123384644) is 3-ethyl-1-methyl-1-pentan-2-ylcyclobutane.
What is the SMILES notation for 3-ethyl-1-methyl-1-pentan-2-ylcyclobutane?
The canonical SMILES for 3-ethyl-1-methyl-1-pentan-2-ylcyclobutane is CCCC(C)C1(C)CC(CC)C1.
What is the InChIKey of 3-ethyl-1-methyl-1-pentan-2-ylcyclobutane?
The InChIKey is FLKSIECZPDUXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-7-10(3)12(4)8-11(6-2)9-12/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-1-methyl-1-pentan-2-ylcyclobutane?
3-ethyl-1-methyl-1-pentan-2-ylcyclobutane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-pentan-2-ylcyclobutane is sourced from PubChem (CID 123384644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).