1-butyl-1,3,3-trimethylcyclobutane

C11H22 — CID 91249753

IUPAC1-butyl-1,3,3-trimethylcyclobutane
SMILESCCCCC1(C)CC(C)(C)C1
InChIInChI=1S/C11H22/c1-5-6-7-11(4)8-10(2,3)9-11/h5-9H2,1-4H3
InChIKeyXBBUTGFYFZDKRM-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds3

About 1-butyl-1,3,3-trimethylcyclobutane

1-butyl-1,3,3-trimethylcyclobutane (PubChem CID 91249753) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1-butyl-1,3,3-trimethylcyclobutane.

Molecular Properties

Compound Name1-butyl-1,3,3-trimethylcyclobutane
PubChem CID91249753
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1-butyl-1,3,3-trimethylcyclobutane
SMILESCCCCC1(C)CC(C)(C)C1
InChIInChI=1S/C11H22/c1-5-6-7-11(4)8-10(2,3)9-11/h5-9H2,1-4H3
InChIKeyXBBUTGFYFZDKRM-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-1-pentylcyclopropane
CID 524644
3-butyl-3-methylazetidine;ethane
CID 145389820
CID 163761151
CID 163761151
3-butyl-3-methylcyclobutan-1-ol
CID 123195778
1,1,3-trimethyl-3-propylcyclopentane
CID 123680922
hexane;1,3,5-trimethylcyclohexane-1,3,5-triol
CID 175548282
1-butyl-1-methyl-3-propan-2-ylcyclobutane
CID 162724820
1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961186
1-butyl-1,3-dimethylcyclopentane
CID 123273889
1-methyl-1-undecylcyclohexane
CID 86137257
3-methyl-3-octyloxetane
CID 162658167
1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane
CID 123142575

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1,3,3-trimethylcyclobutane?
The IUPAC name of 1-butyl-1,3,3-trimethylcyclobutane (CID 91249753) is 1-butyl-1,3,3-trimethylcyclobutane.
What is the SMILES notation for 1-butyl-1,3,3-trimethylcyclobutane?
The canonical SMILES for 1-butyl-1,3,3-trimethylcyclobutane is CCCCC1(C)CC(C)(C)C1.
What is the InChIKey of 1-butyl-1,3,3-trimethylcyclobutane?
The InChIKey is XBBUTGFYFZDKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-5-6-7-11(4)8-10(2,3)9-11/h5-9H2,1-4H3.
What are the key properties of 1-butyl-1,3,3-trimethylcyclobutane?
1-butyl-1,3,3-trimethylcyclobutane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,3,3-trimethylcyclobutane is sourced from PubChem (CID 91249753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).