benzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane)

C355H548 — CID 158826774

IUPACbenzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C(C)C.CC(C)C(C)C.CC(C)C(C)C.CC(C)CC(C)(C)C.CC(C)CC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/13C10H8.2C8H18.15C6H6.6C6H14.3C5H12.3C4H10.28C2H6/c13*1-2-6-10-8-4-3-7-9(10)5-1;2*1-7(2)6-8(3,4)5;15*1-2-4-6-5-3-1;3*1-5-6(2,3)4;3*1-5(2)6(3)4;3*1-5(2,3)4;3*1-4(2)3;28*1-2/h13*1-8H;2*7H,6H2,1-5H3;15*1-6H;3*5H2,1-4H3;3*5-6H,1-4H3;3*1-4H3;3*4H,1-3H3;28*1-2H3
InChIKeyIWNZRQFEIUURKS-UHFFFAOYSA-N
MW4816.29 g/mol
LogP122.47
Rot. Bonds5

About benzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane)

benzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane) (PubChem CID 158826774) has the molecular formula C355H548 and a molecular weight of 4816.29 g/mol. Its IUPAC name is benzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane).

Molecular Properties

Compound Namebenzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane)
PubChem CID158826774
Molecular FormulaC355H548
Molecular Weight4816.29 g/mol
Exact Mass4812.29
IUPAC Namebenzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C(C)C.CC(C)C(C)C.CC(C)C(C)C.CC(C)CC(C)(C)C.CC(C)CC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/13C10H8.2C8H18.15C6H6.6C6H14.3C5H12.3C4H10.28C2H6/c13*1-2-6-10-8-4-3-7-9(10)5-1;2*1-7(2)6-8(3,4)5;15*1-2-4-6-5-3-1;3*1-5-6(2,3)4;3*1-5(2)6(3)4;3*1-5(2,3)4;3*1-4(2)3;28*1-2/h13*1-8H;2*7H,6H2,1-5H3;15*1-6H;3*5H2,1-4H3;3*5-6H,1-4H3;3*1-4H3;3*4H,1-3H3;28*1-2H3
InChIKeyIWNZRQFEIUURKS-UHFFFAOYSA-N
XLogP122.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms355
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004816.29
LogP ≤ 5122.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze benzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane) with MolForge

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Related Compounds

benzene;ethane;tris(3-ethyl-2,2-dimethylheptane);methane;tris(2-methylundecane);naphthalene;tris(2,2,4-trimethylpentane)
CID 159662635
benzene;ethane;bis(2-methylpropane);naphthalene
CID 159562136
benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene
CID 159135234
benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene
CID 163997399
benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane
CID 160639438
anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane
CID 161162660
benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane
CID 158347647
anthracene;benzene;ethane;octakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane
CID 161240969
2,2-dimethylpropane;naphthalene
CID 91188461
anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane
CID 161277022
2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518
9H-carbazole;2,2,4-trimethylpentane
CID 157439850

Frequently Asked Questions

What is the IUPAC name of benzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane)?
The IUPAC name of benzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane) (CID 158826774) is benzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane).
What is the SMILES notation for benzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane)?
The canonical SMILES for benzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C(C)C.CC(C)C(C)C.CC(C)C(C)C.CC(C)CC(C)(C)C.CC(C)CC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane)?
The InChIKey is IWNZRQFEIUURKS-UHFFFAOYSA-N. The full InChI is InChI=1S/13C10H8.2C8H18.15C6H6.6C6H14.3C5H12.3C4H10.28C2H6/c13*1-2-6-10-8-4-3-7-9(10)5-1;2*1-7(2)6-8(3,4)5;15*1-2-4-6-5-3-1;3*1-5-6(2,3)4;3*1-5(2)6(3)4;3*1-5(2,3)4;3*1-4(2)3;28*1-2/h13*1-8H;2*7H,6H2,1-5H3;15*1-6H;3*5H2,1-4H3;3*5-6H,1-4H3;3*1-4H3;3*4H,1-3H3;28*1-2H3.
What are the key properties of benzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane)?
benzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane) has a molecular weight of 4816.29 g/mol, XLogP of 122.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tris(2,2-dimethylbutane);tris(2,3-dimethylbutane);tris(2,2-dimethylpropane);ethane;tris(2-methylpropane);naphthalene;bis(2,2,4-trimethylpentane) is sourced from PubChem (CID 158826774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).