1-methyl-3-(4-methylheptan-3-yl)cyclobutane

C13H26 — CID 123570171

IUPAC1-methyl-3-(4-methylheptan-3-yl)cyclobutane
SMILESCCCC(C)C(CC)C1CC(C)C1
InChIInChI=1S/C13H26/c1-5-7-11(4)13(6-2)12-8-10(3)9-12/h10-13H,5-9H2,1-4H3
InChIKeyLJAUUDBAFYCSNB-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds5

About 1-methyl-3-(4-methylheptan-3-yl)cyclobutane

1-methyl-3-(4-methylheptan-3-yl)cyclobutane (PubChem CID 123570171) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-methyl-3-(4-methylheptan-3-yl)cyclobutane.

Molecular Properties

Compound Name1-methyl-3-(4-methylheptan-3-yl)cyclobutane
PubChem CID123570171
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-methyl-3-(4-methylheptan-3-yl)cyclobutane
SMILESCCCC(C)C(CC)C1CC(C)C1
InChIInChI=1S/C13H26/c1-5-7-11(4)13(6-2)12-8-10(3)9-12/h10-13H,5-9H2,1-4H3
InChIKeyLJAUUDBAFYCSNB-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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-methyl-3-(3-methylheptan-4-yl)cyclopentane
CID 143344172
1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol
CID 64731273
1-(3,5-dimethylcyclohexyl)butan-1-ol
CID 64729676
1-methyl-3-(3-methylheptan-4-yl)cyclohexane
CID 147901007
1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane
CID 123289124
1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378
(3R)-3,4-dimethylheptane
CID 59819300
3-(4-methylcyclohexyl)pentan-2-ol
CID 79422150
1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane
CID 123489822
1-(3-methylcyclobutyl)-N-propylbutan-1-amine
CID 103565371
1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane
CID 123890529
4-cyclobutyl-3-methylhexan-1-amine
CID 123156991

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylheptan-3-yl)cyclobutane?
The IUPAC name of 1-methyl-3-(4-methylheptan-3-yl)cyclobutane (CID 123570171) is 1-methyl-3-(4-methylheptan-3-yl)cyclobutane.
What is the SMILES notation for 1-methyl-3-(4-methylheptan-3-yl)cyclobutane?
The canonical SMILES for 1-methyl-3-(4-methylheptan-3-yl)cyclobutane is CCCC(C)C(CC)C1CC(C)C1.
What is the InChIKey of 1-methyl-3-(4-methylheptan-3-yl)cyclobutane?
The InChIKey is LJAUUDBAFYCSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-7-11(4)13(6-2)12-8-10(3)9-12/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-methyl-3-(4-methylheptan-3-yl)cyclobutane?
1-methyl-3-(4-methylheptan-3-yl)cyclobutane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylheptan-3-yl)cyclobutane is sourced from PubChem (CID 123570171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).