benzene;tris(cyclohexane);ethane;methane;naphthalene;propane

C81H166 — CID 162093346

IUPACbenzene;tris(cyclohexane);ethane;methane;naphthalene;propane
SMILESC.C.C1CCCCC1.C1CCCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C10H8.3C6H12.3C6H6.3C3H8.12C2H6.2CH4/c1-2-6-10-8-4-3-7-9(10)5-1;6*1-2-4-6-5-3-1;3*1-3-2;12*1-2;;/h1-8H;3*1-6H2;3*1-6H;3*3H2,1-2H3;12*1-2H3;2*1H4
InChIKeyZDXIPSWNQRYYGZ-UHFFFAOYSA-N
MW1140.22 g/mol
LogP32.76
Rot. Bonds

About benzene;tris(cyclohexane);ethane;methane;naphthalene;propane

benzene;tris(cyclohexane);ethane;methane;naphthalene;propane (PubChem CID 162093346) has the molecular formula C81H166 and a molecular weight of 1140.22 g/mol. Its IUPAC name is benzene;tris(cyclohexane);ethane;methane;naphthalene;propane.

Molecular Properties

Compound Namebenzene;tris(cyclohexane);ethane;methane;naphthalene;propane
PubChem CID162093346
Molecular FormulaC81H166
Molecular Weight1140.22 g/mol
Exact Mass1139.30
IUPAC Namebenzene;tris(cyclohexane);ethane;methane;naphthalene;propane
SMILESC.C.C1CCCCC1.C1CCCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C10H8.3C6H12.3C6H6.3C3H8.12C2H6.2CH4/c1-2-6-10-8-4-3-7-9(10)5-1;6*1-2-4-6-5-3-1;3*1-3-2;12*1-2;;/h1-8H;3*1-6H2;3*1-6H;3*3H2,1-2H3;12*1-2H3;2*1H4
InChIKeyZDXIPSWNQRYYGZ-UHFFFAOYSA-N
XLogP32.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001140.22
LogP ≤ 532.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;tris(cyclohexane);ethane;methane;naphthalene;propane?
The IUPAC name of benzene;tris(cyclohexane);ethane;methane;naphthalene;propane (CID 162093346) is benzene;tris(cyclohexane);ethane;methane;naphthalene;propane.
What is the SMILES notation for benzene;tris(cyclohexane);ethane;methane;naphthalene;propane?
The canonical SMILES for benzene;tris(cyclohexane);ethane;methane;naphthalene;propane is C.C.C1CCCCC1.C1CCCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;tris(cyclohexane);ethane;methane;naphthalene;propane?
The InChIKey is ZDXIPSWNQRYYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.3C6H12.3C6H6.3C3H8.12C2H6.2CH4/c1-2-6-10-8-4-3-7-9(10)5-1;6*1-2-4-6-5-3-1;3*1-3-2;12*1-2;;/h1-8H;3*1-6H2;3*1-6H;3*3H2,1-2H3;12*1-2H3;2*1H4.
What are the key properties of benzene;tris(cyclohexane);ethane;methane;naphthalene;propane?
benzene;tris(cyclohexane);ethane;methane;naphthalene;propane has a molecular weight of 1140.22 g/mol, XLogP of 32.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tris(cyclohexane);ethane;methane;naphthalene;propane is sourced from PubChem (CID 162093346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).