1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane

C12H24 — CID 123373940

IUPAC1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane
SMILESCCC(C)C(C)(C)C1(C)CCC1
InChIInChI=1S/C12H24/c1-6-10(2)11(3,4)12(5)8-7-9-12/h10H,6-9H2,1-5H3
InChIKeyVXLDVUALVZENKG-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds3

About 1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane

1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane (PubChem CID 123373940) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane.

Molecular Properties

Compound Name1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane
PubChem CID123373940
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane
SMILESCCC(C)C(C)(C)C1(C)CCC1
InChIInChI=1S/C12H24/c1-6-10(2)11(3,4)12(5)8-7-9-12/h10H,6-9H2,1-5H3
InChIKeyVXLDVUALVZENKG-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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

1-tert-butyl-1-methylcyclobutane;2-methylpropane
CID 178126062
1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane
CID 123463743
1-butan-2-yl-1-methylcyclobutane;ethane
CID 167444741
2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile
CID 60915967
1-tert-butyl-1-methylcyclopentane
CID 21351462
1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile
CID 79130650
1-ethyl-1-(2-methylpentan-3-yl)cyclobutane
CID 170720683
1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol
CID 134373340
1-butan-2-yl-4-tert-butyl-4-methylpiperidine
CID 174167928
1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane
CID 159661868
(3S)-2,2-difluoro-3-methylpentane
CID 129370790
2,3-dimethylpentane-2-thiol
CID 90985123

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane?
The IUPAC name of 1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane (CID 123373940) is 1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane.
What is the SMILES notation for 1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane?
The canonical SMILES for 1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane is CCC(C)C(C)(C)C1(C)CCC1.
What is the InChIKey of 1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane?
The InChIKey is VXLDVUALVZENKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-10(2)11(3,4)12(5)8-7-9-12/h10H,6-9H2,1-5H3.
What are the key properties of 1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane?
1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane is sourced from PubChem (CID 123373940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).