2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane

C39H96O — CID 160755411

IUPAC2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane
SMILESC.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C(C)(C)C.CCC(C)(C)C.COC(C)C
InChIInChI=1S/C7H16.C6H14.4C5H12.C4H10O.2CH4/c1-6(2)7(3,4)5;1-5-6(2,3)4;4*1-5(2,3)4;1-4(2)5-3;;/h6H,1-5H3;5H2,1-4H3;4*1-4H3;4H,1-3H3;2*1H4
InChIKeyRXJAPMKMKRHCEX-UHFFFAOYSA-N
MW581.20 g/mol
LogP15.65
Rot. Bonds1

About 2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane

2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane (PubChem CID 160755411) has the molecular formula C39H96O and a molecular weight of 581.20 g/mol. Its IUPAC name is 2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane.

Molecular Properties

Compound Name2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane
PubChem CID160755411
Molecular FormulaC39H96O
Molecular Weight581.20 g/mol
Exact Mass580.75
IUPAC Name2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane
SMILESC.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C(C)(C)C.CCC(C)(C)C.COC(C)C
InChIInChI=1S/C7H16.C6H14.4C5H12.C4H10O.2CH4/c1-6(2)7(3,4)5;1-5-6(2,3)4;4*1-5(2,3)4;1-4(2)5-3;;/h6H,1-5H3;5H2,1-4H3;4*1-4H3;4H,1-3H3;2*1H4
InChIKeyRXJAPMKMKRHCEX-UHFFFAOYSA-N
XLogP15.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.20
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane
CID 158901240
2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane
CID 159604083
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)
CID 158330539
1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
CID 158785130
2,2-dimethylbutane;propane;2,3,3-trimethylpentane
CID 91438439
2,2-dimethylbutane;2,3-dimethylbutane;3-methylpentane
CID 159848949
3-ethylpentane;2,2,3-trimethylbutane
CID 159696459
bis(2,2-dimethylbutane);tungsten
CID 157126936
1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane
CID 159899257
N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine
CID 115920365

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane?
The IUPAC name of 2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane (CID 160755411) is 2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane.
What is the SMILES notation for 2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane?
The canonical SMILES for 2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane is C.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C(C)(C)C.CCC(C)(C)C.COC(C)C.
What is the InChIKey of 2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane?
The InChIKey is RXJAPMKMKRHCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H14.4C5H12.C4H10O.2CH4/c1-6(2)7(3,4)5;1-5-6(2,3)4;4*1-5(2,3)4;1-4(2)5-3;;/h6H,1-5H3;5H2,1-4H3;4*1-4H3;4H,1-3H3;2*1H4.
What are the key properties of 2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane?
2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane has a molecular weight of 581.20 g/mol, XLogP of 15.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane is sourced from PubChem (CID 160755411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).