1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol

C104H205F2NO6 — CID 157217674

IUPAC1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol
SMILESC.CC(C)C1C2CC3CC1CC(C)(C3)C2.CC(C)C1CCC(C)(N)C1(C)C.CC(C)C1CCCC1(C)C.CC(C)C1CCCC1C.CC(C)C1CCCCC1(C)O.CC(C)C1CCC[C@@]1(C)O.CC(C)C1CCC[C@]1(C)F.CC(C)C1CC[C@@](C)(O)[C@]1(C)F.CC(C)C1CC[C@](C)(O)C1(C)C.CC(C)C1C[C@@H](O)[C@@H](O)C1(C)C
InChIInChI=1S/C14H24.C11H23N.C11H22O.C10H19FO.C10H20O2.C10H20O.C10H20.C9H17F.C9H18O.C9H18.CH4/c1-9(2)13-11-4-10-5-12(13)8-14(3,6-10)7-11;2*1-8(2)9-6-7-11(5,12)10(9,3)4;1-7(2)8-5-6-9(3,12)10(8,4)11;1-6(2)7-5-8(11)9(12)10(7,3)4;1-8(2)9-6-4-5-7-10(9,3)11;1-8(2)9-6-5-7-10(9,3)4;2*1-7(2)8-5-4-6-9(8,3)10;1-7(2)9-6-4-5-8(9)3;/h9-13H,4-8H2,1-3H3;8-9H,6-7,12H2,1-5H3;8-9,12H,6-7H2,1-5H3;7-8,12H,5-6H2,1-4H3;6-9,11-12H,5H2,1-4H3;8-9,11H,4-7H2,1-3H3;8-9H,5-7H2,1-4H3;7-8H,4-6H2,1-3H3;7-8,10H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3;1H4/t;;9?,11-;8?,9-,10-;7?,8-,9-;;;2*8?,9-;;/m..011..01../s1
InChIKeyASPLVGCWXLGIGE-OQEYJQFKSA-N
MW1603.78 g/mol
LogP28.80
Rot. Bonds10

About 1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol

1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol (PubChem CID 157217674) has the molecular formula C104H205F2NO6 and a molecular weight of 1603.78 g/mol. Its IUPAC name is 1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Name1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol
PubChem CID157217674
Molecular FormulaC104H205F2NO6
Molecular Weight1603.78 g/mol
Exact Mass1602.57
IUPAC Name1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol
SMILESC.CC(C)C1C2CC3CC1CC(C)(C3)C2.CC(C)C1CCC(C)(N)C1(C)C.CC(C)C1CCCC1(C)C.CC(C)C1CCCC1C.CC(C)C1CCCCC1(C)O.CC(C)C1CCC[C@@]1(C)O.CC(C)C1CCC[C@]1(C)F.CC(C)C1CC[C@@](C)(O)[C@]1(C)F.CC(C)C1CC[C@](C)(O)C1(C)C.CC(C)C1C[C@@H](O)[C@@H](O)C1(C)C
InChIInChI=1S/C14H24.C11H23N.C11H22O.C10H19FO.C10H20O2.C10H20O.C10H20.C9H17F.C9H18O.C9H18.CH4/c1-9(2)13-11-4-10-5-12(13)8-14(3,6-10)7-11;2*1-8(2)9-6-7-11(5,12)10(9,3)4;1-7(2)8-5-6-9(3,12)10(8,4)11;1-6(2)7-5-8(11)9(12)10(7,3)4;1-8(2)9-6-4-5-7-10(9,3)11;1-8(2)9-6-5-7-10(9,3)4;2*1-7(2)8-5-4-6-9(8,3)10;1-7(2)9-6-4-5-8(9)3;/h9-13H,4-8H2,1-3H3;8-9H,6-7,12H2,1-5H3;8-9,12H,6-7H2,1-5H3;7-8,12H,5-6H2,1-4H3;6-9,11-12H,5H2,1-4H3;8-9,11H,4-7H2,1-3H3;8-9H,5-7H2,1-4H3;7-8H,4-6H2,1-3H3;7-8,10H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3;1H4/t;;9?,11-;8?,9-,10-;7?,8-,9-;;;2*8?,9-;;/m..011..01../s1
InChIKeyASPLVGCWXLGIGE-OQEYJQFKSA-N
XLogP28.80
TPSA147.40 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001603.78
LogP ≤ 528.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol with MolForge

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Related Compounds

cis-(1R,2R)-1-methyl-2-propan-2-ylcyclopentan-1-ol
CID 158874958
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
1,2-dimethyl-3-propan-2-ylcyclohexan-1-ol
CID 22561619
4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol
CID 74931871
1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine
CID 158364174
(2,2-dimethylcyclohexyl)-(2-phenylcyclopropyl)methanol
CID 107193020
cyclobutyl-(2,2-dimethylcyclopentyl)methanol
CID 107192993
(2R)-2,7-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527257
formamide;1-methyl-2-propan-2-ylcyclohexane
CID 174972223
1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane
CID 167558861
(1S)-1,3-dimethyl-5-propan-2-yladamantane;(1R,2S,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-fluoro-4-propan-2-yladamantane;2-fluoro-6-propan-2-yladamantane;2-propan-2-yladamantane;4-propan-2-yladamantan-1-ol;6-propan-2-yladamantan-2-ol;(2R)-2-propan-2-ylbicyclo[2.2.1]heptane;9-propan-2-ylbicyclo[3.3.1]nonane;1,3,5-trimethyl-7-propan-2-yladamantane;(1R,2R,3S,5R)-2,6,6-trimethyl-3-propan-2-ylbicyclo[3.1.1]heptane;(1S,2R,3R,5S)-2,6,6-trimethyl-3-propan-2-ylbicyclo[3.1.1]heptane;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane;tris(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane)
CID 161415400

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol?
The IUPAC name of 1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol (CID 157217674) is 1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol.
What is the SMILES notation for 1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol?
The canonical SMILES for 1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol is C.CC(C)C1C2CC3CC1CC(C)(C3)C2.CC(C)C1CCC(C)(N)C1(C)C.CC(C)C1CCCC1(C)C.CC(C)C1CCCC1C.CC(C)C1CCCCC1(C)O.CC(C)C1CCC[C@@]1(C)O.CC(C)C1CCC[C@]1(C)F.CC(C)C1CC[C@@](C)(O)[C@]1(C)F.CC(C)C1CC[C@](C)(O)C1(C)C.CC(C)C1C[C@@H](O)[C@@H](O)C1(C)C.
What is the InChIKey of 1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol?
The InChIKey is ASPLVGCWXLGIGE-OQEYJQFKSA-N. The full InChI is InChI=1S/C14H24.C11H23N.C11H22O.C10H19FO.C10H20O2.C10H20O.C10H20.C9H17F.C9H18O.C9H18.CH4/c1-9(2)13-11-4-10-5-12(13)8-14(3,6-10)7-11;2*1-8(2)9-6-7-11(5,12)10(9,3)4;1-7(2)8-5-6-9(3,12)10(8,4)11;1-6(2)7-5-8(11)9(12)10(7,3)4;1-8(2)9-6-4-5-7-10(9,3)11;1-8(2)9-6-5-7-10(9,3)4;2*1-7(2)8-5-4-6-9(8,3)10;1-7(2)9-6-4-5-8(9)3;/h9-13H,4-8H2,1-3H3;8-9H,6-7,12H2,1-5H3;8-9,12H,6-7H2,1-5H3;7-8,12H,5-6H2,1-4H3;6-9,11-12H,5H2,1-4H3;8-9,11H,4-7H2,1-3H3;8-9H,5-7H2,1-4H3;7-8H,4-6H2,1-3H3;7-8,10H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3;1H4/t;;9?,11-;8?,9-,10-;7?,8-,9-;;;2*8?,9-;;/m..011..01../s1.
What are the key properties of 1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol?
1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol has a molecular weight of 1603.78 g/mol, XLogP of 28.80, 10 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-propan-2-ylcyclopentane;(1S)-1-fluoro-1-methyl-2-propan-2-ylcyclopentane;methane;1-methyl-4-propan-2-yladamantane;1-methyl-2-propan-2-ylcyclohexan-1-ol;1-methyl-2-propan-2-ylcyclopentane;(1R)-1-methyl-2-propan-2-ylcyclopentan-1-ol;trans-(1R,2S)-3,3-dimethyl-4-propan-2-ylcyclopentane-1,2-diol;trans-(1R,2R)-2-fluoro-1,2-dimethyl-3-propan-2-ylcyclopentan-1-ol;1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-amine;(1S)-1,2,2-trimethyl-3-propan-2-ylcyclopentan-1-ol is sourced from PubChem (CID 157217674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).