benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene

C186H300 — CID 158074391

IUPACbenzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCCC(CC)C(C)C.CCCCC(CC)C(C)C.CCCCC(CC)C(C)C.CCCCCCCCCC(C)C.CCCCCCCCCC(C)C.CCCCCCCCCC(C)C.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C12H26.6C10H8.3C10H22.6C6H6.12C2H6/c3*1-4-5-6-7-8-9-10-11-12(2)3;6*1-2-6-10-8-4-3-7-9(10)5-1;3*1-5-7-8-10(6-2)9(3)4;6*1-2-4-6-5-3-1;12*1-2/h3*12H,4-11H2,1-3H3;6*1-8H;3*9-10H,5-8H2,1-4H3;6*1-6H;12*1-2H3
InChIKeyFMEPZQDXKDUGKO-UHFFFAOYSA-N
MW2536.45 g/mol
LogP65.40
Rot. Bonds39

About benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene

benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene (PubChem CID 158074391) has the molecular formula C186H300 and a molecular weight of 2536.45 g/mol. Its IUPAC name is benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene.

Molecular Properties

Compound Namebenzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene
PubChem CID158074391
Molecular FormulaC186H300
Molecular Weight2536.45 g/mol
Exact Mass2534.35
IUPAC Namebenzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCCC(CC)C(C)C.CCCCC(CC)C(C)C.CCCCC(CC)C(C)C.CCCCCCCCCC(C)C.CCCCCCCCCC(C)C.CCCCCCCCCC(C)C.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C12H26.6C10H8.3C10H22.6C6H6.12C2H6/c3*1-4-5-6-7-8-9-10-11-12(2)3;6*1-2-6-10-8-4-3-7-9(10)5-1;3*1-5-7-8-10(6-2)9(3)4;6*1-2-4-6-5-3-1;12*1-2/h3*12H,4-11H2,1-3H3;6*1-8H;3*9-10H,5-8H2,1-4H3;6*1-6H;12*1-2H3
InChIKeyFMEPZQDXKDUGKO-UHFFFAOYSA-N
XLogP65.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds39
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002536.45
LogP ≤ 565.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene 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

benzene;ethane;tris(3-ethyl-2,2-dimethylheptane);methane;tris(2-methylundecane);naphthalene;tris(2,2,4-trimethylpentane)
CID 159662635
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane
CID 160639438
7-butyl-2-methyl-6-propan-2-yltridecane
CID 123825241
2-methyl-10,11-bis(8-methylnonyl)docosane
CID 173154476
ethane;2-methyloctane;pentane
CID 144527652
2-methylbutane;2-methyltridecane
CID 54106775
8-propan-2-ylpentadecane
CID 153475308
5,6-diethyldodecane
CID 90761715
6-propan-2-yltridecane
CID 123704479
6-ethyl-2-methyl-7-propylpentadecane
CID 123507470
ethane;hexane;2-methylhexane
CID 142051007

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene?
The IUPAC name of benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene (CID 158074391) is benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene.
What is the SMILES notation for benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene?
The canonical SMILES for benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCCC(CC)C(C)C.CCCCC(CC)C(C)C.CCCCC(CC)C(C)C.CCCCCCCCCC(C)C.CCCCCCCCCC(C)C.CCCCCCCCCC(C)C.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene?
The InChIKey is FMEPZQDXKDUGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H26.6C10H8.3C10H22.6C6H6.12C2H6/c3*1-4-5-6-7-8-9-10-11-12(2)3;6*1-2-6-10-8-4-3-7-9(10)5-1;3*1-5-7-8-10(6-2)9(3)4;6*1-2-4-6-5-3-1;12*1-2/h3*12H,4-11H2,1-3H3;6*1-8H;3*9-10H,5-8H2,1-4H3;6*1-6H;12*1-2H3.
What are the key properties of benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene?
benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene has a molecular weight of 2536.45 g/mol, XLogP of 65.40, 39 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene is sourced from PubChem (CID 158074391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).