cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane

C95H228O3 — CID 157109520

IUPACcyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane
SMILESC.C.C.C1CC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCC1.C1CCOC1.C1CCOCC1.C1COC1.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C
InChIInChI=1S/2C6H12.C5H10O.C5H10.8C5H12.C4H8O.C4H8.C3H6O.C3H6.8C2H6.3CH4/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;8*1-5(2,3)4;1-2-4-5-3-1;2*1-2-4-3-1;1-2-3-1;8*1-2;;;/h2*1-6H2;1-5H2;1-5H2;8*1-4H3;1-4H2;1-4H2;1-3H2;1-3H2;8*1-2H3;3*1H4
InChIKeyAGRKHPZQYJHMSA-UHFFFAOYSA-N
MW1418.87 g/mol
LogP38.29
Rot. Bonds

About cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane

cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane (PubChem CID 157109520) has the molecular formula C95H228O3 and a molecular weight of 1418.87 g/mol. Its IUPAC name is cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane.

Molecular Properties

Compound Namecyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane
PubChem CID157109520
Molecular FormulaC95H228O3
Molecular Weight1418.87 g/mol
Exact Mass1417.77
IUPAC Namecyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane
SMILESC.C.C.C1CC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCC1.C1CCOC1.C1CCOCC1.C1COC1.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C
InChIInChI=1S/2C6H12.C5H10O.C5H10.8C5H12.C4H8O.C4H8.C3H6O.C3H6.8C2H6.3CH4/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;8*1-5(2,3)4;1-2-4-5-3-1;2*1-2-4-3-1;1-2-3-1;8*1-2;;;/h2*1-6H2;1-5H2;1-5H2;8*1-4H3;1-4H2;1-4H2;1-3H2;1-3H2;8*1-2H3;3*1H4
InChIKeyAGRKHPZQYJHMSA-UHFFFAOYSA-N
XLogP38.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001418.87
LogP ≤ 538.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane?
The IUPAC name of cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane (CID 157109520) is cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane.
What is the SMILES notation for cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane?
The canonical SMILES for cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane is C.C.C.C1CC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCC1.C1CCOC1.C1CCOCC1.C1COC1.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.
What is the InChIKey of cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane?
The InChIKey is AGRKHPZQYJHMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12.C5H10O.C5H10.8C5H12.C4H8O.C4H8.C3H6O.C3H6.8C2H6.3CH4/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;8*1-5(2,3)4;1-2-4-5-3-1;2*1-2-4-3-1;1-2-3-1;8*1-2;;;/h2*1-6H2;1-5H2;1-5H2;8*1-4H3;1-4H2;1-4H2;1-3H2;1-3H2;8*1-2H3;3*1H4.
What are the key properties of cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane?
cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane has a molecular weight of 1418.87 g/mol, XLogP of 38.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane is sourced from PubChem (CID 157109520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).