2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane

C13H26 — CID 123763247

IUPAC2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane
SMILESCCC1C(C)CC1(C)CCC(C)C
InChIInChI=1S/C13H26/c1-6-12-11(4)9-13(12,5)8-7-10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyYOGGWVCBLCSOPW-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds4

About 2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane

2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane (PubChem CID 123763247) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane.

Molecular Properties

Compound Name2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane
PubChem CID123763247
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane
SMILESCCC1C(C)CC1(C)CCC(C)C
InChIInChI=1S/C13H26/c1-6-12-11(4)9-13(12,5)8-7-10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyYOGGWVCBLCSOPW-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-2-(3-methylbutyl)cyclopropan-1-amine
CID 62389533
2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane
CID 123420159
1,2,3-trimethyl-1-(2-methylpropyl)cyclobutane
CID 91220382
2-methyl-N-[[2-methyl-2-(3-methylbutyl)cyclopropyl]methyl]propan-1-amine
CID 62713179
1,3-dimethyl-1-(3-methylbutyl)cyclopentane
CID 91534929
1-(3-ethylpentyl)-1,2-dimethylcyclopropane
CID 123883957
1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane
CID 123778279
3-ethyl-1-(3-methylbutyl)cyclopentan-1-ol
CID 65154263
2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane
CID 123437795
(1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol
CID 71197468
4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine
CID 79320532
2-[2,3-dimethyl-3-(3-methylbutyl)cyclopentyl]bicyclo[2.2.0]hexane
CID 91422039

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane?
The IUPAC name of 2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane (CID 123763247) is 2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane.
What is the SMILES notation for 2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane?
The canonical SMILES for 2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane is CCC1C(C)CC1(C)CCC(C)C.
What is the InChIKey of 2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane?
The InChIKey is YOGGWVCBLCSOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-12-11(4)9-13(12,5)8-7-10(2)3/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane?
2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane is sourced from PubChem (CID 123763247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).