1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane

C15H30 — CID 123429129

IUPAC1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane
SMILESCCC(C)CC(C(C)C)C1CC(C)C1C
InChIInChI=1S/C15H30/c1-7-11(4)8-14(10(2)3)15-9-12(5)13(15)6/h10-15H,7-9H2,1-6H3
InChIKeyNGKDLEPHCQEYNJ-UHFFFAOYSA-N
MW210.40 g/mol
LogP4.99
Rot. Bonds5

About 1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane

1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane (PubChem CID 123429129) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane.

Molecular Properties

Compound Name1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane
PubChem CID123429129
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane
SMILESCCC(C)CC(C(C)C)C1CC(C)C1C
InChIInChI=1S/C15H30/c1-7-11(4)8-14(10(2)3)15-9-12(5)13(15)6/h10-15H,7-9H2,1-6H3
InChIKeyNGKDLEPHCQEYNJ-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane
CID 123367002
3-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65419955
1-(1-chloropropyl)-2,3-dimethylcyclobutane
CID 131133771
1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane
CID 91069892
5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane
CID 143342016
1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
bis(3-methylhexane);1,2,3-trimethylcyclobutane
CID 162022066
1,4-dimethyl-2-(5-methylheptan-3-yl)cyclopentane
CID 123939374
3-methyl-2-(2-methylcyclopropyl)butan-1-amine
CID 123264765
1-methyl-2-(6-methyl-4-propylheptan-3-yl)cyclopropane
CID 123883056
1-methyl-2-(2-methyloctan-3-yl)cyclopropane
CID 123773820
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane?
The IUPAC name of 1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane (CID 123429129) is 1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane.
What is the SMILES notation for 1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane?
The canonical SMILES for 1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane is CCC(C)CC(C(C)C)C1CC(C)C1C.
What is the InChIKey of 1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane?
The InChIKey is NGKDLEPHCQEYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-7-11(4)8-14(10(2)3)15-9-12(5)13(15)6/h10-15H,7-9H2,1-6H3.
What are the key properties of 1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane?
1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane has a molecular weight of 210.40 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane is sourced from PubChem (CID 123429129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).