1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane

C13H26 — CID 123367002

IUPAC1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane
SMILESCCC(C)CC(C)C1CC(C)C1C
InChIInChI=1S/C13H26/c1-6-9(2)7-11(4)13-8-10(3)12(13)5/h9-13H,6-8H2,1-5H3
InChIKeyQEZFKLKLPGTECL-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.35
Rot. Bonds4

About 1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane

1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane (PubChem CID 123367002) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane.

Molecular Properties

Compound Name1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane
PubChem CID123367002
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane
SMILESCCC(C)CC(C)C1CC(C)C1C
InChIInChI=1S/C13H26/c1-6-9(2)7-11(4)13-8-10(3)12(13)5/h9-13H,6-8H2,1-5H3
InChIKeyQEZFKLKLPGTECL-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane
CID 123429129
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
3-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65419955
bis(3-methylhexane);1,2,3-trimethylcyclobutane
CID 162022066
4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane
CID 91402683
1-(1-chloropropyl)-2,3-dimethylcyclobutane
CID 131133771
1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane
CID 123804533
1-(4-ethyl-5-methyloctan-2-yl)-2-methylcyclopropane
CID 123850669
1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane
CID 123289124
1-methyl-2-(5-methyloctan-3-yl)cyclopropane
CID 123251321
1,4-dimethyl-2-(5-methylheptan-3-yl)cyclopentane
CID 123939374

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane?
The IUPAC name of 1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane (CID 123367002) is 1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane.
What is the SMILES notation for 1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane?
The canonical SMILES for 1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane is CCC(C)CC(C)C1CC(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane?
The InChIKey is QEZFKLKLPGTECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-9(2)7-11(4)13-8-10(3)12(13)5/h9-13H,6-8H2,1-5H3.
What are the key properties of 1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane?
1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane has a molecular weight of 182.35 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane is sourced from PubChem (CID 123367002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).