bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane

C82H144 — CID 159187687

IUPACbis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane
SMILESCC12CC3CCC(CC(C3)C1)C2.CC1C2CCC1CC2.CC1CC2CCC(C1)C2.CC1CC2CCC(C1)C2.CC1CC2CCC1C2.CC1CC2CCC1C2.CC1CC2CCCC1CC2.CC1CCC2CCC1C2.CC1CCC2CCC1C2
InChIInChI=1S/C12H20.C10H18.4C9H16.3C8H14/c1-12-6-9-2-3-10(7-12)5-11(4-9)8-12;1-8-7-9-3-2-4-10(8)6-5-9;2*1-7-4-8-2-3-9(5-7)6-8;2*1-7-2-3-8-4-5-9(7)6-8;2*1-6-4-7-2-3-8(6)5-7;1-6-7-2-3-8(6)5-4-7/h9-11H,2-8H2,1H3;8-10H,2-7H2,1H3;4*7-9H,2-6H2,1H3;3*6-8H,2-5H2,1H3
InChIKeyKNRSQOXTNODMLF-UHFFFAOYSA-N
MW1130.05 g/mol
LogP25.49
Rot. Bonds

About bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane

bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane (PubChem CID 159187687) has the molecular formula C82H144 and a molecular weight of 1130.05 g/mol. Its IUPAC name is bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane.

Molecular Properties

Compound Namebis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane
PubChem CID159187687
Molecular FormulaC82H144
Molecular Weight1130.05 g/mol
Exact Mass1129.13
IUPAC Namebis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane
SMILESCC12CC3CCC(CC(C3)C1)C2.CC1C2CCC1CC2.CC1CC2CCC(C1)C2.CC1CC2CCC(C1)C2.CC1CC2CCC1C2.CC1CC2CCC1C2.CC1CC2CCCC1CC2.CC1CCC2CCC1C2.CC1CCC2CCC1C2
InChIInChI=1S/C12H20.C10H18.4C9H16.3C8H14/c1-12-6-9-2-3-10(7-12)5-11(4-9)8-12;1-8-7-9-3-2-4-10(8)6-5-9;2*1-7-4-8-2-3-9(5-7)6-8;2*1-7-2-3-8-4-5-9(7)6-8;2*1-6-4-7-2-3-8(6)5-7;1-6-7-2-3-8(6)5-4-7/h9-11H,2-8H2,1H3;8-10H,2-7H2,1H3;4*7-9H,2-6H2,1H3;3*6-8H,2-5H2,1H3
InChIKeyKNRSQOXTNODMLF-UHFFFAOYSA-N
XLogP25.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001130.05
LogP ≤ 525.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane with MolForge

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Related Compounds

1-methyladamantane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;1-methylbicyclo[3.3.1]nonane;(2S)-2-methylbicyclo[3.3.1]nonane;9-methylbicyclo[3.3.1]nonane;2-methylbicyclo[2.2.2]octane;2-methyltricyclo[3.3.1.03,7]nonane;3-methyltricyclo[3.3.1.03,7]nonane
CID 162096214
1-methyladamantane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.2]octane;8-methyltricyclo[5.2.1.02,6]decane;8-methyltricyclo[5.2.2.02,6]undecane
CID 162005006
3-methylbicyclo[3.3.2]decane;(3R)-3-methylbicyclo[4.2.2]decane;(3R)-3-methylbicyclo[4.3.3]dodecane;3-methylbicyclo[3.1.1]heptane;(2R)-2-methylbicyclo[2.1.1]hexane;(3R)-3-methylbicyclo[4.2.1]nonane;(3R)-3-methylbicyclo[4.1.1]octane;2-methylbicyclo[1.1.1]pentane;3-methylbicyclo[3.3.3]undecane;(3R)-3-methylbicyclo[4.3.2]undecane
CID 162259179
(1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane
CID 135045002
methane;(2S)-2-methylbicyclo[3.3.1]nonane
CID 165048741
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
ethane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane
CID 158423545
(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane
CID 159125813
1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane
CID 159704099

Frequently Asked Questions

What is the IUPAC name of bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane?
The IUPAC name of bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane (CID 159187687) is bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane.
What is the SMILES notation for bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane?
The canonical SMILES for bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane is CC12CC3CCC(CC(C3)C1)C2.CC1C2CCC1CC2.CC1CC2CCC(C1)C2.CC1CC2CCC(C1)C2.CC1CC2CCC1C2.CC1CC2CCC1C2.CC1CC2CCCC1CC2.CC1CCC2CCC1C2.CC1CCC2CCC1C2.
What is the InChIKey of bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane?
The InChIKey is KNRSQOXTNODMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.C10H18.4C9H16.3C8H14/c1-12-6-9-2-3-10(7-12)5-11(4-9)8-12;1-8-7-9-3-2-4-10(8)6-5-9;2*1-7-4-8-2-3-9(5-7)6-8;2*1-7-2-3-8-4-5-9(7)6-8;2*1-6-4-7-2-3-8(6)5-7;1-6-7-2-3-8(6)5-4-7/h9-11H,2-8H2,1H3;8-10H,2-7H2,1H3;4*7-9H,2-6H2,1H3;3*6-8H,2-5H2,1H3.
What are the key properties of bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane?
bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane has a molecular weight of 1130.05 g/mol, XLogP of 25.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane is sourced from PubChem (CID 159187687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).