benzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene

C110H162 — CID 169428109

IUPACbenzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene
SMILESC1CCC(CC2CCCCC2)CC1.C1CCC(CC2CCCCC2)CC1.C1CCC(CC2CCCCC2)CC1.CC1(C)CCCC(C)(C)C1.CCCCCCCC.Cc1ccccc1.Cc1ccccc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/3C13H24.3C13H12.C10H20.C8H18.2C7H8/c6*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-9(2)6-5-7-10(3,4)8-9;1-3-5-7-8-6-4-2;2*1-7-5-3-2-4-6-7/h3*12-13H,1-11H2;3*1-10H,11H2;5-8H2,1-4H3;3-8H2,1-2H3;2*2-6H,1H3
InChIKeyOKWNNFSKFOSPNU-UHFFFAOYSA-N
MW1484.51 g/mol
LogP34.41
Rot. Bonds17

About benzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene

benzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene (PubChem CID 169428109) has the molecular formula C110H162 and a molecular weight of 1484.51 g/mol. Its IUPAC name is benzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene.

Molecular Properties

Compound Namebenzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene
PubChem CID169428109
Molecular FormulaC110H162
Molecular Weight1484.51 g/mol
Exact Mass1483.27
IUPAC Namebenzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene
SMILESC1CCC(CC2CCCCC2)CC1.C1CCC(CC2CCCCC2)CC1.C1CCC(CC2CCCCC2)CC1.CC1(C)CCCC(C)(C)C1.CCCCCCCC.Cc1ccccc1.Cc1ccccc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/3C13H24.3C13H12.C10H20.C8H18.2C7H8/c6*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-9(2)6-5-7-10(3,4)8-9;1-3-5-7-8-6-4-2;2*1-7-5-3-2-4-6-7/h3*12-13H,1-11H2;3*1-10H,11H2;5-8H2,1-4H3;3-8H2,1-2H3;2*2-6H,1H3
InChIKeyOKWNNFSKFOSPNU-UHFFFAOYSA-N
XLogP34.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001484.51
LogP ≤ 534.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene 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 benzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene?
The IUPAC name of benzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene (CID 169428109) is benzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene.
What is the SMILES notation for benzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene?
The canonical SMILES for benzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene is C1CCC(CC2CCCCC2)CC1.C1CCC(CC2CCCCC2)CC1.C1CCC(CC2CCCCC2)CC1.CC1(C)CCCC(C)(C)C1.CCCCCCCC.Cc1ccccc1.Cc1ccccc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of benzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene?
The InChIKey is OKWNNFSKFOSPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H24.3C13H12.C10H20.C8H18.2C7H8/c6*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-9(2)6-5-7-10(3,4)8-9;1-3-5-7-8-6-4-2;2*1-7-5-3-2-4-6-7/h3*12-13H,1-11H2;3*1-10H,11H2;5-8H2,1-4H3;3-8H2,1-2H3;2*2-6H,1H3.
What are the key properties of benzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene?
benzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene has a molecular weight of 1484.51 g/mol, XLogP of 34.41, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;tris(cyclohexylmethylcyclohexane);octane;1,1,3,3-tetramethylcyclohexane;toluene is sourced from PubChem (CID 169428109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).