tetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane

C47H111NOS — CID 158017483

IUPACtetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane
SMILESC.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)NC(C)C.CC(C)OC(C)C.CC(C)SC(C)C
InChIInChI=1S/4C7H16.C6H15N.C6H14O.C6H14S.CH4/c4*1-6(2)5-7(3)4;3*1-5(2)7-6(3)4;/h4*6-7H,5H2,1-4H3;5-7H,1-4H3;2*5-6H,1-4H3;1H4
InChIKeyFFQMXZXGVLQPBX-UHFFFAOYSA-N
MW738.48 g/mol
LogP17.14
Rot. Bonds14

About tetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane

tetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane (PubChem CID 158017483) has the molecular formula C47H111NOS and a molecular weight of 738.48 g/mol. Its IUPAC name is tetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane.

Molecular Properties

Compound Nametetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane
PubChem CID158017483
Molecular FormulaC47H111NOS
Molecular Weight738.48 g/mol
Exact Mass737.84
IUPAC Nametetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane
SMILESC.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)NC(C)C.CC(C)OC(C)C.CC(C)SC(C)C
InChIInChI=1S/4C7H16.C6H15N.C6H14O.C6H14S.CH4/c4*1-6(2)5-7(3)4;3*1-5(2)7-6(3)4;/h4*6-7H,5H2,1-4H3;5-7H,1-4H3;2*5-6H,1-4H3;1H4
InChIKeyFFQMXZXGVLQPBX-UHFFFAOYSA-N
XLogP17.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.48
LogP ≤ 517.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane?
The IUPAC name of tetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane (CID 158017483) is tetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane.
What is the SMILES notation for tetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane?
The canonical SMILES for tetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane is C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)NC(C)C.CC(C)OC(C)C.CC(C)SC(C)C.
What is the InChIKey of tetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane?
The InChIKey is FFQMXZXGVLQPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H16.C6H15N.C6H14O.C6H14S.CH4/c4*1-6(2)5-7(3)4;3*1-5(2)7-6(3)4;/h4*6-7H,5H2,1-4H3;5-7H,1-4H3;2*5-6H,1-4H3;1H4.
What are the key properties of tetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane?
tetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane has a molecular weight of 738.48 g/mol, XLogP of 17.14, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,4-dimethylpentane);methane;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine;2-propan-2-ylsulfanylpropane is sourced from PubChem (CID 158017483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).