2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane

C28H56 — CID 158273528

IUPAC2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane
SMILESCC(C)C(C)C.CC(C)[C@@H](C)c1ccccc1.CCC(C)C.CCCC(C)C
InChIInChI=1S/C11H16.2C6H14.C5H12/c1-9(2)10(3)11-7-5-4-6-8-11;1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3/h4-10H,1-3H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3/t10-;;;/m1.../s1
InChIKeyGJIHLNGRVNAYAU-FYBBWCNBSA-N
MW392.76 g/mol
LogP10.24
Rot. Bonds6

About 2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane

2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane (PubChem CID 158273528) has the molecular formula C28H56 and a molecular weight of 392.76 g/mol. Its IUPAC name is 2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane.

Molecular Properties

Compound Name2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane
PubChem CID158273528
Molecular FormulaC28H56
Molecular Weight392.76 g/mol
Exact Mass392.44
IUPAC Name2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane
SMILESCC(C)C(C)C.CC(C)[C@@H](C)c1ccccc1.CCC(C)C.CCCC(C)C
InChIInChI=1S/C11H16.2C6H14.C5H12/c1-9(2)10(3)11-7-5-4-6-8-11;1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3/h4-10H,1-3H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3/t10-;;;/m1.../s1
InChIKeyGJIHLNGRVNAYAU-FYBBWCNBSA-N
XLogP10.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane with MolForge

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Related Compounds

methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene
CID 162029093
3-chlorohexan-2-ylbenzene
CID 83050941
pentan-2-ylbenzene
CID 17627
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
cumene;2,3-dimethylbutane;hexane;2-methylpentane;3-methylpentane;naphthalene;pentane;toluene
CID 161102420
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
(2R)-2-phenylheptan-3-ol
CID 91322845
(2S,3R)-2-phenylheptan-3-amine
CID 11252501
2-methylpentane
CID 7892
1-phenylbutylsilane
CID 173332415
(3S)-2-methyl-3-phenylbutan-1-amine
CID 143116656
CID 19876403
CID 19876403

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane?
The IUPAC name of 2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane (CID 158273528) is 2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane.
What is the SMILES notation for 2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane?
The canonical SMILES for 2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane is CC(C)C(C)C.CC(C)[C@@H](C)c1ccccc1.CCC(C)C.CCCC(C)C.
What is the InChIKey of 2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane?
The InChIKey is GJIHLNGRVNAYAU-FYBBWCNBSA-N. The full InChI is InChI=1S/C11H16.2C6H14.C5H12/c1-9(2)10(3)11-7-5-4-6-8-11;1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3/h4-10H,1-3H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3/t10-;;;/m1.../s1.
What are the key properties of 2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane?
2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane has a molecular weight of 392.76 g/mol, XLogP of 10.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane is sourced from PubChem (CID 158273528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).