2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate

C224H449F3N16O10S4 — CID 159223652

IUPAC2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)n1cccc1.CC(C)N1CCCC1.CC(C)[C@@H]1CCC(N)C1.CC(C)[C@@H]1CCNC1.CC(C)[C@H]1CCC(N)C1.CC(C)[C@H]1CCNC1.CC1CCNCC1.COC(=O)[C@@H]1CCC[C@H](C)C1.COC(=O)[C@@H]1CC[C@@H](C(C)C)C1.C[C@@H]1C=CCCC1.C[C@@H]1CCCC1N.C[C@@H]1CCCN1.C[C@@H]1CCCO1.C[C@@H]1CCCS1.C[C@@H]1CCOC1.C[C@@H]1CCSC1.C[C@H]1CCCC1N.C[C@H]1CCCN1.C[C@H]1CCCO1.C[C@H]1CCCS1.C[C@H]1CCOC1.C[C@H]1CCSC1.Cc1cccc(C(F)(F)F)n1.Cn1ccc(C(C)(C)C)c1.Cn1cccc1C(C)(C)C
InChIInChI=1S/C10H18O2.2C9H15N.C9H16O2.3C8H13N.2C8H17N.2C8H12O.C7H6F3N.3C7H15N.C7H12.3C6H13N.2C5H11N.4C5H10O.4C5H10S.14C2H6/c1-7(2)8-4-5-9(6-8)10(11)12-3;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-7-4-3-5-8(6-7)9(10)11-2;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-6(2)7-3-4-8(9)5-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-5-3-2-4-6(11-5)7(8,9)10;2*1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;2*1-5-3-2-4-6(5)7;2*1-5-3-2-4-6-5;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;14*1-2/h7-9H,4-6H2,1-3H3;2*5-7H,1-4H3;7-8H,3-6H2,1-2H3;4-6,9H,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;2*6-8H,3-5,9H2,1-2H3;2*4-6H,1-3H3;2-4H,1H3;2*6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3,5,7H,2,4,6H2,1H3;6-7H,2-5H2,1H3;2*5-6H,2-4,7H2,1H3;2*5-6H,2-4H2,1H3;8*5H,2-4H2,1H3;14*1-2H3/t8-,9-;;;7-,8+;;;;2*7-,8?;;;;2*7-;;7-;;2*5-,6?;10*5-;;;;;;;;;;;;;;/m1..0...10...10.1.101010101010............../s1
InChIKeyKRZWVMDCYJQUST-SKAXOGIBSA-N
MW3712.42 g/mol
LogP64.13
Rot. Bonds8

About 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate

2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate (PubChem CID 159223652) has the molecular formula C224H449F3N16O10S4 and a molecular weight of 3712.42 g/mol. Its IUPAC name is 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate
PubChem CID159223652
Molecular FormulaC224H449F3N16O10S4
Molecular Weight3712.42 g/mol
Exact Mass3709.40
IUPAC Name2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)n1cccc1.CC(C)N1CCCC1.CC(C)[C@@H]1CCC(N)C1.CC(C)[C@@H]1CCNC1.CC(C)[C@H]1CCC(N)C1.CC(C)[C@H]1CCNC1.CC1CCNCC1.COC(=O)[C@@H]1CCC[C@H](C)C1.COC(=O)[C@@H]1CC[C@@H](C(C)C)C1.C[C@@H]1C=CCCC1.C[C@@H]1CCCC1N.C[C@@H]1CCCN1.C[C@@H]1CCCO1.C[C@@H]1CCCS1.C[C@@H]1CCOC1.C[C@@H]1CCSC1.C[C@H]1CCCC1N.C[C@H]1CCCN1.C[C@H]1CCCO1.C[C@H]1CCCS1.C[C@H]1CCOC1.C[C@H]1CCSC1.Cc1cccc(C(F)(F)F)n1.Cn1ccc(C(C)(C)C)c1.Cn1cccc1C(C)(C)C
InChIInChI=1S/C10H18O2.2C9H15N.C9H16O2.3C8H13N.2C8H17N.2C8H12O.C7H6F3N.3C7H15N.C7H12.3C6H13N.2C5H11N.4C5H10O.4C5H10S.14C2H6/c1-7(2)8-4-5-9(6-8)10(11)12-3;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-7-4-3-5-8(6-7)9(10)11-2;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-6(2)7-3-4-8(9)5-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-5-3-2-4-6(11-5)7(8,9)10;2*1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;2*1-5-3-2-4-6(5)7;2*1-5-3-2-4-6-5;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;14*1-2/h7-9H,4-6H2,1-3H3;2*5-7H,1-4H3;7-8H,3-6H2,1-2H3;4-6,9H,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;2*6-8H,3-5,9H2,1-2H3;2*4-6H,1-3H3;2-4H,1H3;2*6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3,5,7H,2,4,6H2,1H3;6-7H,2-5H2,1H3;2*5-6H,2-4,7H2,1H3;2*5-6H,2-4H2,1H3;8*5H,2-4H2,1H3;14*1-2H3/t8-,9-;;;7-,8+;;;;2*7-,8?;;;;2*7-;;7-;;2*5-,6?;10*5-;;;;;;;;;;;;;;/m1..0...10...10.1.101010101010............../s1
InChIKeyKRZWVMDCYJQUST-SKAXOGIBSA-N
XLogP64.13
TPSA342.53 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds8
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003712.42
LogP ≤ 564.13
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane
CID 159487473

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate?
The IUPAC name of 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate (CID 159223652) is 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)n1cccc1.CC(C)N1CCCC1.CC(C)[C@@H]1CCC(N)C1.CC(C)[C@@H]1CCNC1.CC(C)[C@H]1CCC(N)C1.CC(C)[C@H]1CCNC1.CC1CCNCC1.COC(=O)[C@@H]1CCC[C@H](C)C1.COC(=O)[C@@H]1CC[C@@H](C(C)C)C1.C[C@@H]1C=CCCC1.C[C@@H]1CCCC1N.C[C@@H]1CCCN1.C[C@@H]1CCCO1.C[C@@H]1CCCS1.C[C@@H]1CCOC1.C[C@@H]1CCSC1.C[C@H]1CCCC1N.C[C@H]1CCCN1.C[C@H]1CCCO1.C[C@H]1CCCS1.C[C@H]1CCOC1.C[C@H]1CCSC1.Cc1cccc(C(F)(F)F)n1.Cn1ccc(C(C)(C)C)c1.Cn1cccc1C(C)(C)C.
What is the InChIKey of 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate?
The InChIKey is KRZWVMDCYJQUST-SKAXOGIBSA-N. The full InChI is InChI=1S/C10H18O2.2C9H15N.C9H16O2.3C8H13N.2C8H17N.2C8H12O.C7H6F3N.3C7H15N.C7H12.3C6H13N.2C5H11N.4C5H10O.4C5H10S.14C2H6/c1-7(2)8-4-5-9(6-8)10(11)12-3;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-7-4-3-5-8(6-7)9(10)11-2;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-6(2)7-3-4-8(9)5-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-5-3-2-4-6(11-5)7(8,9)10;2*1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;2*1-5-3-2-4-6(5)7;2*1-5-3-2-4-6-5;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;14*1-2/h7-9H,4-6H2,1-3H3;2*5-7H,1-4H3;7-8H,3-6H2,1-2H3;4-6,9H,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;2*6-8H,3-5,9H2,1-2H3;2*4-6H,1-3H3;2-4H,1H3;2*6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3,5,7H,2,4,6H2,1H3;6-7H,2-5H2,1H3;2*5-6H,2-4,7H2,1H3;2*5-6H,2-4H2,1H3;8*5H,2-4H2,1H3;14*1-2H3/t8-,9-;;;7-,8+;;;;2*7-,8?;;;;2*7-;;7-;;2*5-,6?;10*5-;;;;;;;;;;;;;;/m1..0...10...10.1.101010101010............../s1.
What are the key properties of 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate?
2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate has a molecular weight of 3712.42 g/mol, XLogP of 64.13, 8 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate;ethane;(3S)-3-methylcyclohexene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;4-methylpiperidine;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3R)-3-propan-2-ylcyclopentan-1-amine;(3S)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;trans-methyl (1R,3R)-3-propan-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 159223652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).