bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)

C48H96O2 — CID 162250352

IUPACbis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
SMILESCC(C)C.CC(C)C.CC(C)C(C)C.CC(C)C(C)C.CC(C)CO.CC(C)CO.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1
InChIInChI=1S/2C10H14.2C6H14.2C4H10O.2C4H10/c2*1-9(2)8-10-6-4-3-5-7-10;2*1-5(2)6(3)4;2*1-4(2)3-5;2*1-4(2)3/h2*3-7,9H,8H2,1-2H3;2*5-6H,1-4H3;2*4-5H,3H2,1-2H3;2*4H,1-3H3
InChIKeyZXXBSIUQMBDUOW-UHFFFAOYSA-N
MW705.29 g/mol
LogP14.96
Rot. Bonds8

About bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)

bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene) (PubChem CID 162250352) has the molecular formula C48H96O2 and a molecular weight of 705.29 g/mol. Its IUPAC name is bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene).

Molecular Properties

Compound Namebis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
PubChem CID162250352
Molecular FormulaC48H96O2
Molecular Weight705.29 g/mol
Exact Mass704.74
IUPAC Namebis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
SMILESCC(C)C.CC(C)C.CC(C)C(C)C.CC(C)C(C)C.CC(C)CO.CC(C)CO.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1
InChIInChI=1S/2C10H14.2C6H14.2C4H10O.2C4H10/c2*1-9(2)8-10-6-4-3-5-7-10;2*1-5(2)6(3)4;2*1-4(2)3-5;2*1-4(2)3/h2*3-7,9H,8H2,1-2H3;2*5-6H,1-4H3;2*4-5H,3H2,1-2H3;2*4H,1-3H3
InChIKeyZXXBSIUQMBDUOW-UHFFFAOYSA-N
XLogP14.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.29
LogP ≤ 514.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methylpropylbenzene
CID 162200929
formic acid;2-methylpropylbenzene
CID 162001374
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
methane;2-methylpropylbenzene;pentane
CID 162015938
1-deuterio-2-(2-methylpropyl)benzene
CID 18666415
(2S)-2-benzyl-3,3-dimethylbutan-1-ol
CID 11805570
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(2-benzyl-3-methylbutyl)benzene
CID 22277918
2,3-dimethylbutylbenzene
CID 12054035

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)?
The IUPAC name of bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene) (CID 162250352) is bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene).
What is the SMILES notation for bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)?
The canonical SMILES for bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene) is CC(C)C.CC(C)C.CC(C)C(C)C.CC(C)C(C)C.CC(C)CO.CC(C)CO.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.
What is the InChIKey of bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)?
The InChIKey is ZXXBSIUQMBDUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14.2C6H14.2C4H10O.2C4H10/c2*1-9(2)8-10-6-4-3-5-7-10;2*1-5(2)6(3)4;2*1-4(2)3-5;2*1-4(2)3/h2*3-7,9H,8H2,1-2H3;2*5-6H,1-4H3;2*4-5H,3H2,1-2H3;2*4H,1-3H3.
What are the key properties of bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)?
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene) has a molecular weight of 705.29 g/mol, XLogP of 14.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene) is sourced from PubChem (CID 162250352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).