1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane

C14H26 — CID 123443774

IUPAC1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane
SMILESCC(C)C1CCC1CC1CC(C)C1C
InChIInChI=1S/C14H26/c1-9(2)14-6-5-12(14)8-13-7-10(3)11(13)4/h9-14H,5-8H2,1-4H3
InChIKeyZEBWFBNHAVYQSP-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.35
Rot. Bonds3

About 1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane

1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane (PubChem CID 123443774) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane.

Molecular Properties

Compound Name1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane
PubChem CID123443774
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane
SMILESCC(C)C1CCC1CC1CC(C)C1C
InChIInChI=1S/C14H26/c1-9(2)14-6-5-12(14)8-13-7-10(3)11(13)4/h9-14H,5-8H2,1-4H3
InChIKeyZEBWFBNHAVYQSP-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane
CID 15751895
1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane
CID 142876952
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane
CID 66471064
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 14166067
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane
CID 123754882
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane?
The IUPAC name of 1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane (CID 123443774) is 1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane.
What is the SMILES notation for 1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane?
The canonical SMILES for 1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane is CC(C)C1CCC1CC1CC(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane?
The InChIKey is ZEBWFBNHAVYQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-9(2)14-6-5-12(14)8-13-7-10(3)11(13)4/h9-14H,5-8H2,1-4H3.
What are the key properties of 1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane?
1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane has a molecular weight of 194.36 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane is sourced from PubChem (CID 123443774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).