3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane

C23H46 — CID 90775344

IUPAC3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane
SMILESCCC1CCC(C)(C)CC(C)(C)C1C(C)(C)CC(C)(CC)CC
InChIInChI=1S/C23H46/c1-11-18-14-15-20(4,5)16-21(6,7)19(18)22(8,9)17-23(10,12-2)13-3/h18-19H,11-17H2,1-10H3
InChIKeyCXFIZJJOCAXZJR-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.11
Rot. Bonds6

About 3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane

3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane (PubChem CID 90775344) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane.

Molecular Properties

Compound Name3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane
PubChem CID90775344
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane
SMILESCCC1CCC(C)(C)CC(C)(C)C1C(C)(C)CC(C)(CC)CC
InChIInChI=1S/C23H46/c1-11-18-14-15-20(4,5)16-21(6,7)19(18)22(8,9)17-23(10,12-2)13-3/h18-19H,11-17H2,1-10H3
InChIKeyCXFIZJJOCAXZJR-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane 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 3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane?
The IUPAC name of 3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane (CID 90775344) is 3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane.
What is the SMILES notation for 3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane?
The canonical SMILES for 3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane is CCC1CCC(C)(C)CC(C)(C)C1C(C)(C)CC(C)(CC)CC.
What is the InChIKey of 3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane?
The InChIKey is CXFIZJJOCAXZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-11-18-14-15-20(4,5)16-21(6,7)19(18)22(8,9)17-23(10,12-2)13-3/h18-19H,11-17H2,1-10H3.
What are the key properties of 3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane?
3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane has a molecular weight of 322.62 g/mol, XLogP of 8.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-ethyl-2,4-dimethylhexan-2-yl)-1,1,6,6-tetramethylcycloheptane is sourced from PubChem (CID 90775344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).