benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane

C264H380 — CID 160639438

IUPACbenzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C(C)C.CC(C)CCCC(C)C.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/17C10H8.C9H20.C6H6.C6H14.4C4H10.8C3H8.16C2H6.CH4/c17*1-2-6-10-8-4-3-7-9(10)5-1;1-8(2)6-5-7-9(3)4;1-2-4-6-5-3-1;1-5(2)6(3)4;4*1-4(2)3;8*1-3-2;16*1-2;/h17*1-8H;8-9H,5-7H2,1-4H3;1-6H;5-6H,1-4H3;4*4H,1-3H3;8*3H2,1-2H3;16*1-2H3;1H4
InChIKeyRIYZWPGRKXHKLR-UHFFFAOYSA-N
MW3553.94 g/mol
LogP90.77
Rot. Bonds5

About benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane

benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane (PubChem CID 160639438) has the molecular formula C264H380 and a molecular weight of 3553.94 g/mol. Its IUPAC name is benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane.

Molecular Properties

Compound Namebenzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane
PubChem CID160639438
Molecular FormulaC264H380
Molecular Weight3553.94 g/mol
Exact Mass3550.97
IUPAC Namebenzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C(C)C.CC(C)CCCC(C)C.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/17C10H8.C9H20.C6H6.C6H14.4C4H10.8C3H8.16C2H6.CH4/c17*1-2-6-10-8-4-3-7-9(10)5-1;1-8(2)6-5-7-9(3)4;1-2-4-6-5-3-1;1-5(2)6(3)4;4*1-4(2)3;8*1-3-2;16*1-2;/h17*1-8H;8-9H,5-7H2,1-4H3;1-6H;5-6H,1-4H3;4*4H,1-3H3;8*3H2,1-2H3;16*1-2H3;1H4
InChIKeyRIYZWPGRKXHKLR-UHFFFAOYSA-N
XLogP90.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms264
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003553.94
LogP ≤ 590.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane?
The IUPAC name of benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane (CID 160639438) is benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane.
What is the SMILES notation for benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane?
The canonical SMILES for benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C(C)C.CC(C)CCCC(C)C.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane?
The InChIKey is RIYZWPGRKXHKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/17C10H8.C9H20.C6H6.C6H14.4C4H10.8C3H8.16C2H6.CH4/c17*1-2-6-10-8-4-3-7-9(10)5-1;1-8(2)6-5-7-9(3)4;1-2-4-6-5-3-1;1-5(2)6(3)4;4*1-4(2)3;8*1-3-2;16*1-2;/h17*1-8H;8-9H,5-7H2,1-4H3;1-6H;5-6H,1-4H3;4*4H,1-3H3;8*3H2,1-2H3;16*1-2H3;1H4.
What are the key properties of benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane?
benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane has a molecular weight of 3553.94 g/mol, XLogP of 90.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane is sourced from PubChem (CID 160639438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).