1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane

C13H26 — CID 123463743

IUPAC1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane
SMILESCCC(C)C(C)C(C)C1(C)CCC1
InChIInChI=1S/C13H26/c1-6-10(2)11(3)12(4)13(5)8-7-9-13/h10-12H,6-9H2,1-5H3
InChIKeyMARHIGCCPQZRCR-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds4

About 1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane

1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane (PubChem CID 123463743) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane.

Molecular Properties

Compound Name1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane
PubChem CID123463743
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane
SMILESCCC(C)C(C)C(C)C1(C)CCC1
InChIInChI=1S/C13H26/c1-6-10(2)11(3)12(4)13(5)8-7-9-13/h10-12H,6-9H2,1-5H3
InChIKeyMARHIGCCPQZRCR-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-1-methylcyclobutane;ethane
CID 167444741
N,2-dimethyl-1-(1-methylcyclopentyl)butan-1-amine
CID 105017597
[2-methyl-1-(1-methylcyclohexyl)butyl]hydrazine
CID 106831313
cyclobutane;2,3-dimethylpentane
CID 145154125
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
1-hexan-3-yl-1-methylcyclobutane
CID 91314067
(4S)-2,3,4-trimethylhexane
CID 58359072
1-(3-methylpentan-2-yl)cyclopropane-1-carbaldehyde
CID 131226445
1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane
CID 123373940
1-(1-methylcyclopentyl)propan-1-amine
CID 114979259
2-methyl-1-(1-methylcyclopentyl)pentan-1-amine
CID 107893998
2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane
CID 90861114

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane?
The IUPAC name of 1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane (CID 123463743) is 1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane.
What is the SMILES notation for 1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane?
The canonical SMILES for 1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane is CCC(C)C(C)C(C)C1(C)CCC1.
What is the InChIKey of 1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane?
The InChIKey is MARHIGCCPQZRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-10(2)11(3)12(4)13(5)8-7-9-13/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane?
1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane is sourced from PubChem (CID 123463743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).