1-butyl-1-methyl-3-propan-2-ylcyclobutane

C12H24 — CID 162724820

IUPAC1-butyl-1-methyl-3-propan-2-ylcyclobutane
SMILESCCCCC1(C)CC(C(C)C)C1
InChIInChI=1S/C12H24/c1-5-6-7-12(4)8-11(9-12)10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyRHWACZUSTLUIDE-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds4

About 1-butyl-1-methyl-3-propan-2-ylcyclobutane

1-butyl-1-methyl-3-propan-2-ylcyclobutane (PubChem CID 162724820) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-butyl-1-methyl-3-propan-2-ylcyclobutane.

Molecular Properties

Compound Name1-butyl-1-methyl-3-propan-2-ylcyclobutane
PubChem CID162724820
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-butyl-1-methyl-3-propan-2-ylcyclobutane
SMILESCCCCC1(C)CC(C(C)C)C1
InChIInChI=1S/C12H24/c1-5-6-7-12(4)8-11(9-12)10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyRHWACZUSTLUIDE-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

3-butyl-3-methylcyclobutan-1-ol
CID 123195778
ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine
CID 177011684
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
N-methyl-N-[2-(1-methyl-3-propan-2-ylcyclobutyl)ethyl]propan-2-amine
CID 170578281
1,3-dimethyl-1-pentylcyclobutane;ethane
CID 171802014
1,1-diethyl-3-propan-2-ylcyclobutane
CID 162172993
1-butyl-1,3,3-trimethylcyclobutane
CID 91249753
1-butyl-1,3-dimethylcyclopentane
CID 123273889
2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 91236207
CID 123789898
CID 123789898
(1R)-1-[(1R,2R)-2-butyl-2-methylcyclopropyl]-2-methylpropan-1-ol
CID 102319002
1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562532

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-methyl-3-propan-2-ylcyclobutane?
The IUPAC name of 1-butyl-1-methyl-3-propan-2-ylcyclobutane (CID 162724820) is 1-butyl-1-methyl-3-propan-2-ylcyclobutane.
What is the SMILES notation for 1-butyl-1-methyl-3-propan-2-ylcyclobutane?
The canonical SMILES for 1-butyl-1-methyl-3-propan-2-ylcyclobutane is CCCCC1(C)CC(C(C)C)C1.
What is the InChIKey of 1-butyl-1-methyl-3-propan-2-ylcyclobutane?
The InChIKey is RHWACZUSTLUIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-6-7-12(4)8-11(9-12)10(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-butyl-1-methyl-3-propan-2-ylcyclobutane?
1-butyl-1-methyl-3-propan-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 1-butyl-1-methyl-3-propan-2-ylcyclobutane is sourced from PubChem (CID 162724820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).