2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene

C48H74 — CID 159060906

IUPAC2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCC1C2CC3CC(C2)CC1C3.CC1CCCC1.CC1CCCCC1.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C
InChIInChI=1S/C11H18.3C8H10.C7H14.C6H12/c1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h7-11H,2-6H2,1H3;3*3-6H,1-2H3;7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyJYLMPXLDODSSPT-UHFFFAOYSA-N
MW651.12 g/mol
LogP14.77
Rot. Bonds

About 2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene

2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 159060906) has the molecular formula C48H74 and a molecular weight of 651.12 g/mol. Its IUPAC name is 2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene
PubChem CID159060906
Molecular FormulaC48H74
Molecular Weight651.12 g/mol
Exact Mass650.58
IUPAC Name2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCC1C2CC3CC(C2)CC1C3.CC1CCCC1.CC1CCCCC1.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C
InChIInChI=1S/C11H18.3C8H10.C7H14.C6H12/c1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h7-11H,2-6H2,1H3;3*3-6H,1-2H3;7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyJYLMPXLDODSSPT-UHFFFAOYSA-N
XLogP14.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.12
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene 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 2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene?
The IUPAC name of 2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene (CID 159060906) is 2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene?
The canonical SMILES for 2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene is CC1C2CC3CC(C2)CC1C3.CC1CCCC1.CC1CCCCC1.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C.
What is the InChIKey of 2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene?
The InChIKey is JYLMPXLDODSSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.3C8H10.C7H14.C6H12/c1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h7-11H,2-6H2,1H3;3*3-6H,1-2H3;7H,2-6H2,1H3;6H,2-5H2,1H3.
What are the key properties of 2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene?
2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 651.12 g/mol, XLogP of 14.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 159060906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).