1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane

C15H30 — CID 123458596

IUPAC1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane
SMILESCCC1(CC(C)CC(C)C)CC(C)C1C
InChIInChI=1S/C15H30/c1-7-15(10-13(5)14(15)6)9-12(4)8-11(2)3/h11-14H,7-10H2,1-6H3
InChIKeyUTBWHOYDVSVIGP-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.13
Rot. Bonds5

About 1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane

1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane (PubChem CID 123458596) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane.

Molecular Properties

Compound Name1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane
PubChem CID123458596
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane
SMILESCCC1(CC(C)CC(C)C)CC(C)C1C
InChIInChI=1S/C15H30/c1-7-15(10-13(5)14(15)6)9-12(4)8-11(2)3/h11-14H,7-10H2,1-6H3
InChIKeyUTBWHOYDVSVIGP-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane?
The IUPAC name of 1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane (CID 123458596) is 1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane.
What is the SMILES notation for 1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane?
The canonical SMILES for 1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane is CCC1(CC(C)CC(C)C)CC(C)C1C.
What is the InChIKey of 1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane?
The InChIKey is UTBWHOYDVSVIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-7-15(10-13(5)14(15)6)9-12(4)8-11(2)3/h11-14H,7-10H2,1-6H3.
What are the key properties of 1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane?
1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane has a molecular weight of 210.40 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane is sourced from PubChem (CID 123458596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).