CID 59940166

C20H28 — CID 59940166

IUPAC—
SMILESC[C]1CCC([C]2CCC(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C20H28/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18/h3-4,7-8,18-19H,5-6,9-14H2,1-2H3
InChIKeyUAFKUTIYTJPOMM-UHFFFAOYSA-N
MW268.44 g/mol
LogP6.01
Rot. Bonds2

About CID 59940166

CID 59940166 (PubChem CID 59940166) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol.

Molecular Properties

Compound NameCID 59940166
PubChem CID59940166
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name—
SMILESC[C]1CCC([C]2CCC(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C20H28/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18/h3-4,7-8,18-19H,5-6,9-14H2,1-2H3
InChIKeyUAFKUTIYTJPOMM-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 59940166 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

CID 59940181
CID 59940181
CID 59940176
CID 59940176
CID 59940150
CID 59940150
CID 59076908
CID 59076908
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene
CID 151968969
CID 59076916
CID 59076916
CID 59940195
CID 59940195
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
4-(4-methylphenyl)oxane
CID 46222621

Frequently Asked Questions

What is the IUPAC name of CID 59940166?
The IUPAC name of CID 59940166 (CID 59940166) is not available.
What is the SMILES notation for CID 59940166?
The canonical SMILES for CID 59940166 is C[C]1CCC([C]2CCC(c3ccc(C)cc3)CC2)CC1.
What is the InChIKey of CID 59940166?
The InChIKey is UAFKUTIYTJPOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18/h3-4,7-8,18-19H,5-6,9-14H2,1-2H3.
What are the key properties of CID 59940166?
CID 59940166 has a molecular weight of 268.44 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59940166 is sourced from PubChem (CID 59940166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).