(3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane

C105H200 — CID 163979538

IUPAC(3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane
SMILESCC(C)C1C(C)(C)CCC1(C)C.CC1C2CCC(C2)[C@H]1C.CCC1(C)CC(C)(C)C(C)(C)C1.CCC1C(C)(C)CCC1(C)C.CCC1CC(C)(C)C(C)(C)C1.CCC1CC(C)(C)CC(C)(C)C1.CCC1CC2CCC1C2.C[C@@H]1C2CCC(C2)C1(C)C.C[C@H]1CC2CCC1(C)CC2.C[C@H]1CC2CCC1CC2
InChIInChI=1S/3C12H24.2C11H22.2C10H18.3C9H16/c1-9(2)10-11(3,4)7-8-12(10,5)6;1-7-12(6)8-10(2,3)11(4,5)9-12;1-6-10-7-11(2,3)9-12(4,5)8-10;1-6-9-7-10(2,3)11(4,5)8-9;1-6-9-10(2,3)7-8-11(9,4)5;1-7-8-4-5-9(6-8)10(7,2)3;1-8-7-9-3-5-10(8,2)6-4-9;1-6-7(2)9-4-3-8(6)5-9;1-7-6-8-2-4-9(7)5-3-8;1-2-8-5-7-3-4-9(8)6-7/h9-10H,7-8H2,1-6H3;7-9H2,1-6H3;10H,6-9H2,1-5H3;2*9H,6-8H2,1-5H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;6-9H,3-5H2,1-2H3;2*7-9H,2-6H2,1H3/t;;;;;7-,8?,9?;8-,9?,10?;6-,7?,8?,9?;7-,8?,9?;/m.....1000./s1
InChIKeySXDYFJLIZFPRQB-YVEFCESUSA-N
MW1462.75 g/mol
LogP34.98
Rot. Bonds6

About (3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane

(3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane (PubChem CID 163979538) has the molecular formula C105H200 and a molecular weight of 1462.75 g/mol. Its IUPAC name is (3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane
PubChem CID163979538
Molecular FormulaC105H200
Molecular Weight1462.75 g/mol
Exact Mass1461.57
IUPAC Name(3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane
SMILESCC(C)C1C(C)(C)CCC1(C)C.CC1C2CCC(C2)[C@H]1C.CCC1(C)CC(C)(C)C(C)(C)C1.CCC1C(C)(C)CCC1(C)C.CCC1CC(C)(C)C(C)(C)C1.CCC1CC(C)(C)CC(C)(C)C1.CCC1CC2CCC1C2.C[C@@H]1C2CCC(C2)C1(C)C.C[C@H]1CC2CCC1(C)CC2.C[C@H]1CC2CCC1CC2
InChIInChI=1S/3C12H24.2C11H22.2C10H18.3C9H16/c1-9(2)10-11(3,4)7-8-12(10,5)6;1-7-12(6)8-10(2,3)11(4,5)9-12;1-6-10-7-11(2,3)9-12(4,5)8-10;1-6-9-7-10(2,3)11(4,5)8-9;1-6-9-10(2,3)7-8-11(9,4)5;1-7-8-4-5-9(6-8)10(7,2)3;1-8-7-9-3-5-10(8,2)6-4-9;1-6-7(2)9-4-3-8(6)5-9;1-7-6-8-2-4-9(7)5-3-8;1-2-8-5-7-3-4-9(8)6-7/h9-10H,7-8H2,1-6H3;7-9H2,1-6H3;10H,6-9H2,1-5H3;2*9H,6-8H2,1-5H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;6-9H,3-5H2,1-2H3;2*7-9H,2-6H2,1H3/t;;;;;7-,8?,9?;8-,9?,10?;6-,7?,8?,9?;7-,8?,9?;/m.....1000./s1
InChIKeySXDYFJLIZFPRQB-YVEFCESUSA-N
XLogP34.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001462.75
LogP ≤ 534.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of (3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane (CID 163979538) is (3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for (3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for (3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane is CC(C)C1C(C)(C)CCC1(C)C.CC1C2CCC(C2)[C@H]1C.CCC1(C)CC(C)(C)C(C)(C)C1.CCC1C(C)(C)CCC1(C)C.CCC1CC(C)(C)C(C)(C)C1.CCC1CC(C)(C)CC(C)(C)C1.CCC1CC2CCC1C2.C[C@@H]1C2CCC(C2)C1(C)C.C[C@H]1CC2CCC1(C)CC2.C[C@H]1CC2CCC1CC2.
What is the InChIKey of (3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane?
The InChIKey is SXDYFJLIZFPRQB-YVEFCESUSA-N. The full InChI is InChI=1S/3C12H24.2C11H22.2C10H18.3C9H16/c1-9(2)10-11(3,4)7-8-12(10,5)6;1-7-12(6)8-10(2,3)11(4,5)9-12;1-6-10-7-11(2,3)9-12(4,5)8-10;1-6-9-7-10(2,3)11(4,5)8-9;1-6-9-10(2,3)7-8-11(9,4)5;1-7-8-4-5-9(6-8)10(7,2)3;1-8-7-9-3-5-10(8,2)6-4-9;1-6-7(2)9-4-3-8(6)5-9;1-7-6-8-2-4-9(7)5-3-8;1-2-8-5-7-3-4-9(8)6-7/h9-10H,7-8H2,1-6H3;7-9H2,1-6H3;10H,6-9H2,1-5H3;2*9H,6-8H2,1-5H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;6-9H,3-5H2,1-2H3;2*7-9H,2-6H2,1H3/t;;;;;7-,8?,9?;8-,9?,10?;6-,7?,8?,9?;7-,8?,9?;/m.....1000./s1.
What are the key properties of (3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane?
(3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane has a molecular weight of 1462.75 g/mol, XLogP of 34.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 163979538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).