1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane

C14H28 — CID 143683574

IUPAC1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane
SMILESCCC1(C)CC(CCCCC(C)C)C1
InChIInChI=1S/C14H28/c1-5-14(4)10-13(11-14)9-7-6-8-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyCTNKWAACNORFAC-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.03
Rot. Bonds6

About 1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane

1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane (PubChem CID 143683574) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane
PubChem CID143683574
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane
SMILESCCC1(C)CC(CCCCC(C)C)C1
InChIInChI=1S/C14H28/c1-5-14(4)10-13(11-14)9-7-6-8-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyCTNKWAACNORFAC-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1-methyl-3-non-6-enylcyclobutane
CID 123183084
13-methyltetradecylcyclopentane
CID 123698808
3-ethyl-3-methylcyclobutan-1-amine
CID 121388624
4-methylpentylcyclopentane
CID 523530
1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
2-(3-ethyl-3-methylcyclobutyl)ethyl formate
CID 88860718
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
3-(4-methylpentyl)thietane 1,1-dioxide
CID 159685138
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
3-(6-methylheptyl)cyclohexan-1-ol
CID 177308556

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane?
The IUPAC name of 1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane (CID 143683574) is 1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane.
What is the SMILES notation for 1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane?
The canonical SMILES for 1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane is CCC1(C)CC(CCCCC(C)C)C1.
What is the InChIKey of 1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane?
The InChIKey is CTNKWAACNORFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-14(4)10-13(11-14)9-7-6-8-12(2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane?
1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane has a molecular weight of 196.38 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane is sourced from PubChem (CID 143683574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).