bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane)

C117H238 — CID 158113011

IUPACbicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane)
SMILESC.C.C1CC2CC(C1)C2.C1CC2CCC(C1)C2.C1CC2CCC(C1)C2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCCC(C1)C2.C1CCC2(CC1)CCCC2.C1CCC2(CC1)CCCC2.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C
InChIInChI=1S/2C10H18.C9H16.3C8H14.2C7H12.8C6H14.2CH4/c2*1-2-6-10(7-3-1)8-4-5-9-10;1-3-8-5-2-6-9(4-1)7-8;1-2-8-5-3-7(1)4-6-8;2*1-2-7-4-5-8(3-1)6-7;1-2-7-4-3-6(1)5-7;1-2-6-4-7(3-1)5-6;8*1-5-6(2,3)4;;/h2*1-9H2;8-9H,1-7H2;3*7-8H,1-6H2;2*6-7H,1-5H2;8*5H2,1-4H3;2*1H4
InChIKeyFQQZLWACJFULSX-UHFFFAOYSA-N
MW1645.19 g/mol
LogP42.96
Rot. Bonds

About bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane)

bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane) (PubChem CID 158113011) has the molecular formula C117H238 and a molecular weight of 1645.19 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane).

Molecular Properties

Compound Namebicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane)
PubChem CID158113011
Molecular FormulaC117H238
Molecular Weight1645.19 g/mol
Exact Mass1643.86
IUPAC Namebicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane)
SMILESC.C.C1CC2CC(C1)C2.C1CC2CCC(C1)C2.C1CC2CCC(C1)C2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCCC(C1)C2.C1CCC2(CC1)CCCC2.C1CCC2(CC1)CCCC2.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C
InChIInChI=1S/2C10H18.C9H16.3C8H14.2C7H12.8C6H14.2CH4/c2*1-2-6-10(7-3-1)8-4-5-9-10;1-3-8-5-2-6-9(4-1)7-8;1-2-8-5-3-7(1)4-6-8;2*1-2-7-4-5-8(3-1)6-7;1-2-7-4-3-6(1)5-7;1-2-6-4-7(3-1)5-6;8*1-5-6(2,3)4;;/h2*1-9H2;8-9H,1-7H2;3*7-8H,1-6H2;2*6-7H,1-5H2;8*5H2,1-4H3;2*1H4
InChIKeyFQQZLWACJFULSX-UHFFFAOYSA-N
XLogP42.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001645.19
LogP ≤ 542.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane) with MolForge

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Related Compounds

bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane
CID 159153074
bicyclo[2.2.1]heptane;spiro[5.5]undecane
CID 157147118
1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane
CID 160544712
bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane;cubane;ethane;methane
CID 158575482
bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bis(bicyclo[4.2.1]nonane);bicyclo[2.2.2]octane;bicyclo[3.2.1]octane
CID 160674450
bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.3]dodecane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[3.3.3]undecane;bis(bicyclo[4.3.2]undecane)
CID 158680471
bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.3.2]undecane
CID 158767319
3-(2,2-dimethylpropyl)spiro[5.5]undecane
CID 140695301
bicyclo[2.2.1]heptane;cyclohexane;ethanamine
CID 159865221
3-propylspiro[5.6]dodecane
CID 163613469
bicyclo[5.3.1]undecane
CID 14399147
bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane
CID 159708378

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane)?
The IUPAC name of bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane) (CID 158113011) is bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane).
What is the SMILES notation for bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane)?
The canonical SMILES for bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane) is C.C.C1CC2CC(C1)C2.C1CC2CCC(C1)C2.C1CC2CCC(C1)C2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCCC(C1)C2.C1CCC2(CC1)CCCC2.C1CCC2(CC1)CCCC2.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.
What is the InChIKey of bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane)?
The InChIKey is FQQZLWACJFULSX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18.C9H16.3C8H14.2C7H12.8C6H14.2CH4/c2*1-2-6-10(7-3-1)8-4-5-9-10;1-3-8-5-2-6-9(4-1)7-8;1-2-8-5-3-7(1)4-6-8;2*1-2-7-4-5-8(3-1)6-7;1-2-7-4-3-6(1)5-7;1-2-6-4-7(3-1)5-6;8*1-5-6(2,3)4;;/h2*1-9H2;8-9H,1-7H2;3*7-8H,1-6H2;2*6-7H,1-5H2;8*5H2,1-4H3;2*1H4.
What are the key properties of bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane)?
bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane) has a molecular weight of 1645.19 g/mol, XLogP of 42.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane) is sourced from PubChem (CID 158113011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).