bis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol)

C32H72O2 — CID 157273307

IUPACbis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol)
SMILESCC(C)C(C)(O)C(C)C.CC(C)C(C)(O)C(C)C.CC(C)C(C)C(C)C.CC(C)C(C)C(C)C
InChIInChI=1S/2C8H18O.2C8H18/c2*1-6(2)8(5,9)7(3)4;2*1-6(2)8(5)7(3)4/h2*6-7,9H,1-5H3;2*6-8H,1-5H3
InChIKeyAYUFZBPBCJFQRS-UHFFFAOYSA-N
MW488.93 g/mol
LogP9.97
Rot. Bonds8

About bis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol)

bis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol) (PubChem CID 157273307) has the molecular formula C32H72O2 and a molecular weight of 488.93 g/mol. Its IUPAC name is bis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol).

Molecular Properties

Compound Namebis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol)
PubChem CID157273307
Molecular FormulaC32H72O2
Molecular Weight488.93 g/mol
Exact Mass488.55
IUPAC Namebis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol)
SMILESCC(C)C(C)(O)C(C)C.CC(C)C(C)(O)C(C)C.CC(C)C(C)C(C)C.CC(C)C(C)C(C)C
InChIInChI=1S/2C8H18O.2C8H18/c2*1-6(2)8(5,9)7(3)4;2*1-6(2)8(5)7(3)4/h2*6-7,9H,1-5H3;2*6-8H,1-5H3
InChIKeyAYUFZBPBCJFQRS-UHFFFAOYSA-N
XLogP9.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.93
LogP ≤ 59.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4-Trimethyl-3-pentanol
CID 520484
3-Ethyl-2-methyl-3-pentanol
CID 136390
3-Isopropyl-2,4-dimethyl-3-pentanol
CID 263675
3-Ethyl-2,4-dimethylpentan-3-ol
CID 231872
Tetrakis(2,3-dimethylpentan-2-ol);titanium
CID 23347714
Tetrakis(3,4-diethylhexan-3-ol);titanium
CID 23347719
4-(4-Hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol
CID 87110602
2,3-Dimethylpentan-3-ol;3-ethylpentan-3-ol
CID 87770279
3-Ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol
CID 145235291
Titanium;tetrakis(2,3,4-trimethylpentan-2-ol)
CID 145780463
Tetrakis(3,4-dimethylhexan-3-ol);titanium
CID 145780484
3-Ethyl-2,2,4,4-tetramethylpentane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;bis(2,2,3,4,4-pentamethylpentane)
CID 157253990

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol)?
The IUPAC name of bis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol) (CID 157273307) is bis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol).
What is the SMILES notation for bis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol)?
The canonical SMILES for bis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol) is CC(C)C(C)(O)C(C)C.CC(C)C(C)(O)C(C)C.CC(C)C(C)C(C)C.CC(C)C(C)C(C)C.
What is the InChIKey of bis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol)?
The InChIKey is AYUFZBPBCJFQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18O.2C8H18/c2*1-6(2)8(5,9)7(3)4;2*1-6(2)8(5)7(3)4/h2*6-7,9H,1-5H3;2*6-8H,1-5H3.
What are the key properties of bis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol)?
bis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol) has a molecular weight of 488.93 g/mol, XLogP of 9.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4-trimethylpentane);bis(2,3,4-trimethylpentan-3-ol) is sourced from PubChem (CID 157273307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).