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

C89H152 — CID 162096214

IUPAC1-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
SMILESCC12CC3CC(CC(C3)C1)C2.CC12CC3CC(CC1C3)C2.CC12CCCC(CCC1)C2.CC1C2CC3CC(C2)C1C3.CC1C2CC3CC(C2)CC1C3.CC1C2CCCC1CCC2.CC1CC2CCC1C2.CC1CC2CCC1CC2.C[C@H]1CCC2CCCC1C2
InChIInChI=1S/2C11H18.2C10H16.3C10H18.C9H16.C8H14/c1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-10-5-7-2-8(6-10)4-9(10)3-7;1-6-8-2-7-3-9(5-8)10(6)4-7;1-10-6-2-4-9(8-10)5-3-7-10;1-8-9-4-2-5-10(8)7-3-6-9;1-8-5-6-9-3-2-4-10(8)7-9;1-7-6-8-2-4-9(7)5-3-8;1-6-4-7-2-3-8(6)5-7/h8-10H,2-7H2,1H3;7-11H,2-6H2,1H3;7-9H,2-6H2,1H3;6-10H,2-5H2,1H3;9H,2-8H2,1H3;2*8-10H,2-7H2,1H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3/t;;;;;;8-,9?,10?;;/m......0../s1
InChIKeyZEGXCCDJQPJYJJ-AMCNMBMBSA-N
MW1222.19 g/mol
LogP26.91
Rot. Bonds

About 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

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 (PubChem CID 162096214) has the molecular formula C89H152 and a molecular weight of 1222.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID162096214
Molecular FormulaC89H152
Molecular Weight1222.19 g/mol
Exact Mass1221.19
IUPAC Name1-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
SMILESCC12CC3CC(CC(C3)C1)C2.CC12CC3CC(CC1C3)C2.CC12CCCC(CCC1)C2.CC1C2CC3CC(C2)C1C3.CC1C2CC3CC(C2)CC1C3.CC1C2CCCC1CCC2.CC1CC2CCC1C2.CC1CC2CCC1CC2.C[C@H]1CCC2CCCC1C2
InChIInChI=1S/2C11H18.2C10H16.3C10H18.C9H16.C8H14/c1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-10-5-7-2-8(6-10)4-9(10)3-7;1-6-8-2-7-3-9(5-8)10(6)4-7;1-10-6-2-4-9(8-10)5-3-7-10;1-8-9-4-2-5-10(8)7-3-6-9;1-8-5-6-9-3-2-4-10(8)7-9;1-7-6-8-2-4-9(7)5-3-8;1-6-4-7-2-3-8(6)5-7/h8-10H,2-7H2,1H3;7-11H,2-6H2,1H3;7-9H,2-6H2,1H3;6-10H,2-5H2,1H3;9H,2-8H2,1H3;2*8-10H,2-7H2,1H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3/t;;;;;;8-,9?,10?;;/m......0../s1
InChIKeyZEGXCCDJQPJYJJ-AMCNMBMBSA-N
XLogP26.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001222.19
LogP ≤ 526.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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
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
ethane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane
CID 158423545
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
methane;(2S)-2-methylbicyclo[3.3.1]nonane
CID 165048741
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,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
(1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane
CID 135045002
(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane
CID 162081852
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC12CC3CC(CC(C3)C1)C2.CC12CC3CC(CC1C3)C2.CC12CCCC(CCC1)C2.CC1C2CC3CC(C2)C1C3.CC1C2CC3CC(C2)CC1C3.CC1C2CCCC1CCC2.CC1CC2CCC1C2.CC1CC2CCC1CC2.C[C@H]1CCC2CCCC1C2.
What is the InChIKey of 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?
The InChIKey is ZEGXCCDJQPJYJJ-AMCNMBMBSA-N. The full InChI is InChI=1S/2C11H18.2C10H16.3C10H18.C9H16.C8H14/c1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-10-5-7-2-8(6-10)4-9(10)3-7;1-6-8-2-7-3-9(5-8)10(6)4-7;1-10-6-2-4-9(8-10)5-3-7-10;1-8-9-4-2-5-10(8)7-3-6-9;1-8-5-6-9-3-2-4-10(8)7-9;1-7-6-8-2-4-9(7)5-3-8;1-6-4-7-2-3-8(6)5-7/h8-10H,2-7H2,1H3;7-11H,2-6H2,1H3;7-9H,2-6H2,1H3;6-10H,2-5H2,1H3;9H,2-8H2,1H3;2*8-10H,2-7H2,1H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3/t;;;;;;8-,9?,10?;;/m......0../s1.
What are the key properties of 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?
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 has a molecular weight of 1222.19 g/mol, XLogP of 26.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162096214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).