1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane

C14H26 — CID 90721396

IUPAC1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane
SMILESCCC1C2CC1(C(C)C(C)(C)CC)C2
InChIInChI=1S/C14H26/c1-6-12-11-8-14(12,9-11)10(3)13(4,5)7-2/h10-12H,6-9H2,1-5H3
InChIKeyREZQMUUEMMTKTI-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.49
Rot. Bonds4

About 1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane

1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane (PubChem CID 90721396) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane
PubChem CID90721396
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane
SMILESCCC1C2CC1(C(C)C(C)(C)CC)C2
InChIInChI=1S/C14H26/c1-6-12-11-8-14(12,9-11)10(3)13(4,5)7-2/h10-12H,6-9H2,1-5H3
InChIKeyREZQMUUEMMTKTI-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane?
The IUPAC name of 1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane (CID 90721396) is 1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane.
What is the SMILES notation for 1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane?
The canonical SMILES for 1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane is CCC1C2CC1(C(C)C(C)(C)CC)C2.
What is the InChIKey of 1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane?
The InChIKey is REZQMUUEMMTKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-6-12-11-8-14(12,9-11)10(3)13(4,5)7-2/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane?
1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane has a molecular weight of 194.36 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-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane is sourced from PubChem (CID 90721396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).