tetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane

C34H48O8 — CID 159730044

IUPACtetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane
SMILESCCC.CCC(C)C(C)C.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1
InChIInChI=1S/C7H16.4C6H6O2.C3H8/c1-5-7(4)6(2)3;4*7-5-2-1-3-6(8)4-5;1-3-2/h6-7H,5H2,1-4H3;4*1-4,7-8H;3H2,1-2H3
InChIKeyNBCXLJAAFDFSMD-UHFFFAOYSA-N
MW584.75 g/mol
LogP8.50
Rot. Bonds2

About tetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane

tetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane (PubChem CID 159730044) has the molecular formula C34H48O8 and a molecular weight of 584.75 g/mol. Its IUPAC name is tetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane.

Molecular Properties

Compound Nametetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane
PubChem CID159730044
Molecular FormulaC34H48O8
Molecular Weight584.75 g/mol
Exact Mass584.33
IUPAC Nametetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane
SMILESCCC.CCC(C)C(C)C.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1
InChIInChI=1S/C7H16.4C6H6O2.C3H8/c1-5-7(4)6(2)3;4*7-5-2-1-3-6(8)4-5;1-3-2/h6-7H,5H2,1-4H3;4*1-4,7-8H;3H2,1-2H3
InChIKeyNBCXLJAAFDFSMD-UHFFFAOYSA-N
XLogP8.50
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500584.75
LogP ≤ 58.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

octakis(benzene-1,3-diol);2,3-dimethylpentane;2,4-dimethylpentane;propane
CID 161453979
tetrakis(benzene-1,3-diol);2,4-dimethylpentane;propane
CID 157137279
benzene-1,3-diol;propane-1,2-diol
CID 158855100
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
bis(benzene-1,3-diol);hydrate
CID 174320343
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;tris(yttrium)
CID 23386139
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534

Frequently Asked Questions

What is the IUPAC name of tetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane?
The IUPAC name of tetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane (CID 159730044) is tetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane.
What is the SMILES notation for tetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane?
The canonical SMILES for tetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane is CCC.CCC(C)C(C)C.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1.
What is the InChIKey of tetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane?
The InChIKey is NBCXLJAAFDFSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.4C6H6O2.C3H8/c1-5-7(4)6(2)3;4*7-5-2-1-3-6(8)4-5;1-3-2/h6-7H,5H2,1-4H3;4*1-4,7-8H;3H2,1-2H3.
What are the key properties of tetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane?
tetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane has a molecular weight of 584.75 g/mol, XLogP of 8.50, 2 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane is sourced from PubChem (CID 159730044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).