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

C62H104 — CID 162005006

IUPAC1-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
SMILESCC12CC3CC(CC(C3)C1)C2.CC1C2CC3CC(C2)CC1C3.CC1CC2CC1C1CCCC21.CC1CC2CCC1C1CCCC21.CC1CC2CCC1C2.CC1CC2CCC1CC2
InChIInChI=1S/C12H20.3C11H18.C9H16.C8H14/c1-8-7-9-5-6-10(8)12-4-2-3-11(9)12;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-7-5-8-6-11(7)10-4-2-3-9(8)10;1-7-6-8-2-4-9(7)5-3-8;1-6-4-7-2-3-8(6)5-7/h8-12H,2-7H2,1H3;8-10H,2-7H2,1H3;2*7-11H,2-6H2,1H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3
InChIKeyYSSDVTBFRHUMRV-UHFFFAOYSA-N
MW849.51 g/mol
LogP18.12
Rot. Bonds

About 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

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 (PubChem CID 162005006) has the molecular formula C62H104 and a molecular weight of 849.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID162005006
Molecular FormulaC62H104
Molecular Weight849.51 g/mol
Exact Mass848.81
IUPAC Name1-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
SMILESCC12CC3CC(CC(C3)C1)C2.CC1C2CC3CC(C2)CC1C3.CC1CC2CC1C1CCCC21.CC1CC2CCC1C1CCCC21.CC1CC2CCC1C2.CC1CC2CCC1CC2
InChIInChI=1S/C12H20.3C11H18.C9H16.C8H14/c1-8-7-9-5-6-10(8)12-4-2-3-11(9)12;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-7-5-8-6-11(7)10-4-2-3-9(8)10;1-7-6-8-2-4-9(7)5-3-8;1-6-4-7-2-3-8(6)5-7/h8-12H,2-7H2,1H3;8-10H,2-7H2,1H3;2*7-11H,2-6H2,1H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3
InChIKeyYSSDVTBFRHUMRV-UHFFFAOYSA-N
XLogP18.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.51
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 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;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
ethane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane
CID 158423545
4-methyl-1,2,2a,3,4,4a,5,6,7,8,8a,8b-dodecahydrocyclobuta[a]naphthalene
CID 163896110
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
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
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
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
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane
CID 159041976
(4S,20R,37S,45S)-45-methyldecacyclo[21.13.6.35,19.110,14.128,32.137,41.02,34.04,8.016,20.022,26]octatetracontane
CID 59827545
adamantane;1-methyladamantane
CID 53425859
10-methyltetracyclo[7.3.1.02,7.06,11]tridecane
CID 59760764

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC12CC3CC(CC(C3)C1)C2.CC1C2CC3CC(C2)CC1C3.CC1CC2CC1C1CCCC21.CC1CC2CCC1C1CCCC21.CC1CC2CCC1C2.CC1CC2CCC1CC2.
What is the InChIKey of 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?
The InChIKey is YSSDVTBFRHUMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.3C11H18.C9H16.C8H14/c1-8-7-9-5-6-10(8)12-4-2-3-11(9)12;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-7-5-8-6-11(7)10-4-2-3-9(8)10;1-7-6-8-2-4-9(7)5-3-8;1-6-4-7-2-3-8(6)5-7/h8-12H,2-7H2,1H3;8-10H,2-7H2,1H3;2*7-11H,2-6H2,1H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 849.51 g/mol, XLogP of 18.12, 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;2-methylbicyclo[2.2.2]octane;8-methyltricyclo[5.2.1.02,6]decane;8-methyltricyclo[5.2.2.02,6]undecane is sourced from PubChem (CID 162005006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).