(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol

C180H385F3N2O20S — CID 161498905

IUPAC(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol
SMILESCC.CC(C)C(CO)CO.CC(C)CC(CO)C(C)C.CC(C)CC1CCCO1.CC(C)CCCO.CC(C)CCO.CC(C)[C@H](CO)CC1CC1.CC(C)[C@H](CO)c1ccccc1.CCCC(C)C(C)C.CCCCC(C)C.CCCCC(C)C.CCCCCC(C)C.CCCC[C@@H](CO)C(C)C.CCCC[C@H](CO)C(C)C.CCC[C@@H](C(=O)CC)C(C)C.CCC[C@@H](C(=O)NCCO)C(C)C.CCC[C@@H](C(=O)OC)C(C)C.CCC[C@@H](C(N)=O)C(C)C.CCC[C@@H](CO)C(C)C.CCC[C@H](C(C)C)C(F)(F)F.CCC[C@H](CO)C(C)C.CC[C@H](C)[C@H](C)CO.CSCCC(CO)C(C)C
InChIInChI=1S/C11H16O.C10H21NO2.C10H20O.C9H18O2.C9H18O.3C9H20O.C8H15F3.C8H17NO.C8H18OS.C8H16O.2C8H18O.2C8H18.C7H16O.2C7H16.C6H14O2.C6H14O.C5H12O.C2H6/c1-9(2)11(8-12)10-6-4-3-5-7-10;1-4-5-9(8(2)3)10(13)11-6-7-12;1-5-7-9(8(3)4)10(11)6-2;1-5-6-8(7(2)3)9(10)11-4;1-7(2)9(6-10)5-8-3-4-8;1-7(2)5-9(6-10)8(3)4;2*1-4-5-6-9(7-10)8(2)3;1-4-5-7(6(2)3)8(9,10)11;1-4-5-7(6(2)3)8(9)10;1-7(2)8(6-9)4-5-10-3;1-7(2)6-8-4-3-5-9-8;2*1-4-5-8(6-9)7(2)3;1-5-6-8(4)7(2)3;1-4-5-6-7-8(2)3;1-4-6(2)7(3)5-8;2*1-4-5-6-7(2)3;1-5(2)6(3-7)4-8;1-6(2)4-3-5-7;1-5(2)3-4-6;1-2/h3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7H2,1-3H3,(H,11,13);8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;2*8-10H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3,(H2,9,10);7-9H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;2*7-9H,4-6H2,1-3H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;6-8H,4-5H2,1-3H3;2*7H,4-6H2,1-3H3;5-8H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;1-2H3/t11-;2*9-;8-;9-;;2*9-;2*7-;;;2*8-;;;6-,7+;;;;;;/m01110.1011..10..0....../s1
InChIKeyWGORXPURYTVRHB-UPMXJZKESA-N
MW2987.11 g/mol
LogP48.90
Rot. Bonds82

About (2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol

(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol (PubChem CID 161498905) has the molecular formula C180H385F3N2O20S and a molecular weight of 2987.11 g/mol. Its IUPAC name is (2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol.

Molecular Properties

Compound Name(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol
PubChem CID161498905
Molecular FormulaC180H385F3N2O20S
Molecular Weight2987.11 g/mol
Exact Mass2984.88
IUPAC Name(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol
SMILESCC.CC(C)C(CO)CO.CC(C)CC(CO)C(C)C.CC(C)CC1CCCO1.CC(C)CCCO.CC(C)CCO.CC(C)[C@H](CO)CC1CC1.CC(C)[C@H](CO)c1ccccc1.CCCC(C)C(C)C.CCCCC(C)C.CCCCC(C)C.CCCCCC(C)C.CCCC[C@@H](CO)C(C)C.CCCC[C@H](CO)C(C)C.CCC[C@@H](C(=O)CC)C(C)C.CCC[C@@H](C(=O)NCCO)C(C)C.CCC[C@@H](C(=O)OC)C(C)C.CCC[C@@H](C(N)=O)C(C)C.CCC[C@@H](CO)C(C)C.CCC[C@H](C(C)C)C(F)(F)F.CCC[C@H](CO)C(C)C.CC[C@H](C)[C@H](C)CO.CSCCC(CO)C(C)C
InChIInChI=1S/C11H16O.C10H21NO2.C10H20O.C9H18O2.C9H18O.3C9H20O.C8H15F3.C8H17NO.C8H18OS.C8H16O.2C8H18O.2C8H18.C7H16O.2C7H16.C6H14O2.C6H14O.C5H12O.C2H6/c1-9(2)11(8-12)10-6-4-3-5-7-10;1-4-5-9(8(2)3)10(13)11-6-7-12;1-5-7-9(8(3)4)10(11)6-2;1-5-6-8(7(2)3)9(10)11-4;1-7(2)9(6-10)5-8-3-4-8;1-7(2)5-9(6-10)8(3)4;2*1-4-5-6-9(7-10)8(2)3;1-4-5-7(6(2)3)8(9,10)11;1-4-5-7(6(2)3)8(9)10;1-7(2)8(6-9)4-5-10-3;1-7(2)6-8-4-3-5-9-8;2*1-4-5-8(6-9)7(2)3;1-5-6-8(4)7(2)3;1-4-5-6-7-8(2)3;1-4-6(2)7(3)5-8;2*1-4-5-6-7(2)3;1-5(2)6(3-7)4-8;1-6(2)4-3-5-7;1-5(2)3-4-6;1-2/h3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7H2,1-3H3,(H,11,13);8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;2*8-10H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3,(H2,9,10);7-9H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;2*7-9H,4-6H2,1-3H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;6-8H,4-5H2,1-3H3;2*7H,4-6H2,1-3H3;5-8H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;1-2H3/t11-;2*9-;8-;9-;;2*9-;2*7-;;;2*8-;;;6-,7+;;;;;;/m01110.1011..10..0....../s1
InChIKeyWGORXPURYTVRHB-UPMXJZKESA-N
XLogP48.90
TPSA408.01 Ų
H-Bond Donors16
H-Bond Acceptors21
Rotatable Bonds82
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002987.11
LogP ≤ 548.90
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol?
The IUPAC name of (2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol (CID 161498905) is (2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol.
What is the SMILES notation for (2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol?
The canonical SMILES for (2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol is CC.CC(C)C(CO)CO.CC(C)CC(CO)C(C)C.CC(C)CC1CCCO1.CC(C)CCCO.CC(C)CCO.CC(C)[C@H](CO)CC1CC1.CC(C)[C@H](CO)c1ccccc1.CCCC(C)C(C)C.CCCCC(C)C.CCCCC(C)C.CCCCCC(C)C.CCCC[C@@H](CO)C(C)C.CCCC[C@H](CO)C(C)C.CCC[C@@H](C(=O)CC)C(C)C.CCC[C@@H](C(=O)NCCO)C(C)C.CCC[C@@H](C(=O)OC)C(C)C.CCC[C@@H](C(N)=O)C(C)C.CCC[C@@H](CO)C(C)C.CCC[C@H](C(C)C)C(F)(F)F.CCC[C@H](CO)C(C)C.CC[C@H](C)[C@H](C)CO.CSCCC(CO)C(C)C.
What is the InChIKey of (2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol?
The InChIKey is WGORXPURYTVRHB-UPMXJZKESA-N. The full InChI is InChI=1S/C11H16O.C10H21NO2.C10H20O.C9H18O2.C9H18O.3C9H20O.C8H15F3.C8H17NO.C8H18OS.C8H16O.2C8H18O.2C8H18.C7H16O.2C7H16.C6H14O2.C6H14O.C5H12O.C2H6/c1-9(2)11(8-12)10-6-4-3-5-7-10;1-4-5-9(8(2)3)10(13)11-6-7-12;1-5-7-9(8(3)4)10(11)6-2;1-5-6-8(7(2)3)9(10)11-4;1-7(2)9(6-10)5-8-3-4-8;1-7(2)5-9(6-10)8(3)4;2*1-4-5-6-9(7-10)8(2)3;1-4-5-7(6(2)3)8(9,10)11;1-4-5-7(6(2)3)8(9)10;1-7(2)8(6-9)4-5-10-3;1-7(2)6-8-4-3-5-9-8;2*1-4-5-8(6-9)7(2)3;1-5-6-8(4)7(2)3;1-4-5-6-7-8(2)3;1-4-6(2)7(3)5-8;2*1-4-5-6-7(2)3;1-5(2)6(3-7)4-8;1-6(2)4-3-5-7;1-5(2)3-4-6;1-2/h3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7H2,1-3H3,(H,11,13);8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;2*8-10H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3,(H2,9,10);7-9H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;2*7-9H,4-6H2,1-3H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;6-8H,4-5H2,1-3H3;2*7H,4-6H2,1-3H3;5-8H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;1-2H3/t11-;2*9-;8-;9-;;2*9-;2*7-;;;2*8-;;;6-,7+;;;;;;/m01110.1011..10..0....../s1.
What are the key properties of (2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol?
(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol has a molecular weight of 2987.11 g/mol, XLogP of 48.90, 82 rotatable bonds, 16 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2S,3S)-2,3-dimethylpentan-1-ol;ethane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol is sourced from PubChem (CID 161498905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).