1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane

C284H568 — CID 161214526

IUPAC1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1C2CC21.CC(C)(C)C1C2CCC21.CC(C)(C)C1C2CCCC21.CC(C)(C)C1C2CCCCC21.CC(C)(C)C1C2CCCCCC21.CC(C)(C)C1CC2CC21.CC(C)(C)C1CC2CC2C1.CC(C)(C)C1CC2CCC21.CC(C)(C)C1CC2CCC2C1.CC(C)(C)C1CC2CCCC21.CC(C)(C)C1CC2CCCC2C1.CC(C)(C)C1CC2CCCCC21.CC(C)(C)C1CCC2CC21.CC(C)(C)C1CCC2CC2C1.CC(C)(C)C1CCC2CC2CC1.CC(C)(C)C1CCC2CCC21.CC(C)(C)C1CCC2CCC2C1.CC(C)(C)C1CCC2CCCC21.CC(C)(C)C1CCCC2CC21.CC(C)(C)C1CCCC2CC2C1.CC(C)(C)C1CCCC2CCC21.CC(C)(C)C1CCCCC2CC21
InChIInChI=1S/9C12H22.6C11H20.4C10H18.2C9H16.C8H14.22C2H6/c1-12(2,3)11-6-4-9-8-10(9)5-7-11;1-12(2,3)11-7-6-9-4-5-10(9)8-11;1-12(2,3)11-6-4-5-9-7-10(9)8-11;1-12(2,3)11-7-9-5-4-6-10(9)8-11;1-12(2,3)11-6-4-5-9-7-8-10(9)11;1-12(2,3)11-8-7-9-5-4-6-10(9)11;1-12(2,3)11-7-5-4-6-9-8-10(9)11;1-12(2,3)11-8-9-6-4-5-7-10(9)11;1-12(2,3)11-9-7-5-4-6-8-10(9)11;1-11(2,3)10-7-5-8-4-6-9(8)10;1-11(2,3)10-5-4-8-6-9(8)7-10;1-11(2,3)10-6-8-4-5-9(8)7-10;1-11(2,3)10-6-4-5-8-7-9(8)10;1-11(2,3)10-7-8-5-4-6-9(8)10;1-11(2,3)10-8-6-4-5-7-9(8)10;1-10(2,3)9-5-7-4-8(7)6-9;1-10(2,3)9-5-4-7-6-8(7)9;1-10(2,3)9-6-7-4-5-8(7)9;1-10(2,3)9-7-5-4-6-8(7)9;1-9(2,3)8-5-6-4-7(6)8;1-9(2,3)8-6-4-5-7(6)8;1-8(2,3)7-5-4-6(5)7;22*1-2/h9*9-11H,4-8H2,1-3H3;6*8-10H,4-7H2,1-3H3;4*7-9H,4-6H2,1-3H3;2*6-8H,4-5H2,1-3H3;5-7H,4H2,1-3H3;22*1-2H3
InChIKeyUWRHDYQZFYDFMN-UHFFFAOYSA-N
MW3983.67 g/mol
LogP98.11
Rot. Bonds

About 1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane

1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane (PubChem CID 161214526) has the molecular formula C284H568 and a molecular weight of 3983.67 g/mol. Its IUPAC name is 1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane.

Molecular Properties

Compound Name1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane
PubChem CID161214526
Molecular FormulaC284H568
Molecular Weight3983.67 g/mol
Exact Mass3980.44
IUPAC Name1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1C2CC21.CC(C)(C)C1C2CCC21.CC(C)(C)C1C2CCCC21.CC(C)(C)C1C2CCCCC21.CC(C)(C)C1C2CCCCCC21.CC(C)(C)C1CC2CC21.CC(C)(C)C1CC2CC2C1.CC(C)(C)C1CC2CCC21.CC(C)(C)C1CC2CCC2C1.CC(C)(C)C1CC2CCCC21.CC(C)(C)C1CC2CCCC2C1.CC(C)(C)C1CC2CCCCC21.CC(C)(C)C1CCC2CC21.CC(C)(C)C1CCC2CC2C1.CC(C)(C)C1CCC2CC2CC1.CC(C)(C)C1CCC2CCC21.CC(C)(C)C1CCC2CCC2C1.CC(C)(C)C1CCC2CCCC21.CC(C)(C)C1CCCC2CC21.CC(C)(C)C1CCCC2CC2C1.CC(C)(C)C1CCCC2CCC21.CC(C)(C)C1CCCCC2CC21
InChIInChI=1S/9C12H22.6C11H20.4C10H18.2C9H16.C8H14.22C2H6/c1-12(2,3)11-6-4-9-8-10(9)5-7-11;1-12(2,3)11-7-6-9-4-5-10(9)8-11;1-12(2,3)11-6-4-5-9-7-10(9)8-11;1-12(2,3)11-7-9-5-4-6-10(9)8-11;1-12(2,3)11-6-4-5-9-7-8-10(9)11;1-12(2,3)11-8-7-9-5-4-6-10(9)11;1-12(2,3)11-7-5-4-6-9-8-10(9)11;1-12(2,3)11-8-9-6-4-5-7-10(9)11;1-12(2,3)11-9-7-5-4-6-8-10(9)11;1-11(2,3)10-7-5-8-4-6-9(8)10;1-11(2,3)10-5-4-8-6-9(8)7-10;1-11(2,3)10-6-8-4-5-9(8)7-10;1-11(2,3)10-6-4-5-8-7-9(8)10;1-11(2,3)10-7-8-5-4-6-9(8)10;1-11(2,3)10-8-6-4-5-7-9(8)10;1-10(2,3)9-5-7-4-8(7)6-9;1-10(2,3)9-5-4-7-6-8(7)9;1-10(2,3)9-6-7-4-5-8(7)9;1-10(2,3)9-7-5-4-6-8(7)9;1-9(2,3)8-5-6-4-7(6)8;1-9(2,3)8-6-4-5-7(6)8;1-8(2,3)7-5-4-6(5)7;22*1-2/h9*9-11H,4-8H2,1-3H3;6*8-10H,4-7H2,1-3H3;4*7-9H,4-6H2,1-3H3;2*6-8H,4-5H2,1-3H3;5-7H,4H2,1-3H3;22*1-2H3
InChIKeyUWRHDYQZFYDFMN-UHFFFAOYSA-N
XLogP98.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms284
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003983.67
LogP ≤ 598.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 158093658
2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane
CID 167686199
6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane
CID 163468164
2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 59716049
1-tert-butyl-2-cyclopentylcyclopentane
CID 58689261
16-tert-butyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 123410307
1,3-ditert-butylcyclobutane;1,4-ditert-butylcycloheptane;1,3-ditert-butylcyclohexane;1,4-ditert-butylcyclohexane;1,3-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 159836238
1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane
CID 160724082
11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene
CID 167402176
1,2-ditert-butylcyclobutane;1,2-ditert-butylcyclohexane;1,3-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 161413124
2-(2-cyclohexylpropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 15920186
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane?
The IUPAC name of 1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane (CID 161214526) is 1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane.
What is the SMILES notation for 1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane?
The canonical SMILES for 1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1C2CC21.CC(C)(C)C1C2CCC21.CC(C)(C)C1C2CCCC21.CC(C)(C)C1C2CCCCC21.CC(C)(C)C1C2CCCCCC21.CC(C)(C)C1CC2CC21.CC(C)(C)C1CC2CC2C1.CC(C)(C)C1CC2CCC21.CC(C)(C)C1CC2CCC2C1.CC(C)(C)C1CC2CCCC21.CC(C)(C)C1CC2CCCC2C1.CC(C)(C)C1CC2CCCCC21.CC(C)(C)C1CCC2CC21.CC(C)(C)C1CCC2CC2C1.CC(C)(C)C1CCC2CC2CC1.CC(C)(C)C1CCC2CCC21.CC(C)(C)C1CCC2CCC2C1.CC(C)(C)C1CCC2CCCC21.CC(C)(C)C1CCCC2CC21.CC(C)(C)C1CCCC2CC2C1.CC(C)(C)C1CCCC2CCC21.CC(C)(C)C1CCCCC2CC21.
What is the InChIKey of 1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane?
The InChIKey is UWRHDYQZFYDFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/9C12H22.6C11H20.4C10H18.2C9H16.C8H14.22C2H6/c1-12(2,3)11-6-4-9-8-10(9)5-7-11;1-12(2,3)11-7-6-9-4-5-10(9)8-11;1-12(2,3)11-6-4-5-9-7-10(9)8-11;1-12(2,3)11-7-9-5-4-6-10(9)8-11;1-12(2,3)11-6-4-5-9-7-8-10(9)11;1-12(2,3)11-8-7-9-5-4-6-10(9)11;1-12(2,3)11-7-5-4-6-9-8-10(9)11;1-12(2,3)11-8-9-6-4-5-7-10(9)11;1-12(2,3)11-9-7-5-4-6-8-10(9)11;1-11(2,3)10-7-5-8-4-6-9(8)10;1-11(2,3)10-5-4-8-6-9(8)7-10;1-11(2,3)10-6-8-4-5-9(8)7-10;1-11(2,3)10-6-4-5-8-7-9(8)10;1-11(2,3)10-7-8-5-4-6-9(8)10;1-11(2,3)10-8-6-4-5-7-9(8)10;1-10(2,3)9-5-7-4-8(7)6-9;1-10(2,3)9-5-4-7-6-8(7)9;1-10(2,3)9-6-7-4-5-8(7)9;1-10(2,3)9-7-5-4-6-8(7)9;1-9(2,3)8-5-6-4-7(6)8;1-9(2,3)8-6-4-5-7(6)8;1-8(2,3)7-5-4-6(5)7;22*1-2/h9*9-11H,4-8H2,1-3H3;6*8-10H,4-7H2,1-3H3;4*7-9H,4-6H2,1-3H3;2*6-8H,4-5H2,1-3H3;5-7H,4H2,1-3H3;22*1-2H3.
What are the key properties of 1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane?
1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane has a molecular weight of 3983.67 g/mol, XLogP of 98.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butylbicyclo[1.1.0]butane;2-tert-butylbicyclo[3.2.0]heptane;2-tert-butylbicyclo[4.1.0]heptane;3-tert-butylbicyclo[3.2.0]heptane;3-tert-butylbicyclo[4.1.0]heptane;6-tert-butylbicyclo[3.2.0]heptane;7-tert-butylbicyclo[4.1.0]heptane;2-tert-butylbicyclo[2.2.0]hexane;2-tert-butylbicyclo[3.1.0]hexane;3-tert-butylbicyclo[3.1.0]hexane;6-tert-butylbicyclo[3.1.0]hexane;2-tert-butylbicyclo[4.2.0]octane;2-tert-butylbicyclo[5.1.0]octane;3-tert-butylbicyclo[4.2.0]octane;3-tert-butylbicyclo[5.1.0]octane;4-tert-butylbicyclo[5.1.0]octane;7-tert-butylbicyclo[4.2.0]octane;8-tert-butylbicyclo[5.1.0]octane;2-tert-butylbicyclo[2.1.0]pentane;5-tert-butylbicyclo[2.1.0]pentane;ethane is sourced from PubChem (CID 161214526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).