2,2-dimethylpropane;trihydrate

C5H18O3 — CID 172866132

IUPAC2,2-dimethylpropane;trihydrate
SMILESCC(C)(C)C.O.O.O
InChIInChI=1S/C5H12.3H2O/c1-5(2,3)4;;;/h1-4H3;3*1H2
InChIKeyNYXMVRMLUOAKHK-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.42
Rot. Bonds

About 2,2-dimethylpropane;trihydrate

2,2-dimethylpropane;trihydrate (PubChem CID 172866132) has the molecular formula C5H18O3 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,2-dimethylpropane;trihydrate.

Molecular Properties

Compound Name2,2-dimethylpropane;trihydrate
PubChem CID172866132
Molecular FormulaC5H18O3
Molecular Weight126.20 g/mol
Exact Mass126.13
IUPAC Name2,2-dimethylpropane;trihydrate
SMILESCC(C)(C)C.O.O.O
InChIInChI=1S/C5H12.3H2O/c1-5(2,3)4;;;/h1-4H3;3*1H2
InChIKeyNYXMVRMLUOAKHK-UHFFFAOYSA-N
XLogP-0.42
TPSA94.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

chloromethane;2,2-dimethylpropane
CID 142899692
2,2-dimethylpropane;molecular hydrogen
CID 142995896
2,2-dimethylpropane;ethane;methane
CID 157153388
bis(2,2-dimethylpropane);ethane;methane
CID 161072251
tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)
CID 159299187
2,2-dimethylpropane;ethane;ethene
CID 143720811
2,2-dimethylpropane;meitnerium;methane;methanolate
CID 161068030
bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane)
CID 160526699
2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane
CID 142473666
2,2-dimethylpropane;methanamine;molecular hydrogen
CID 142152372
tert-butyloxidanium
CID 59258481
2,2-dimethylpropane;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162128993

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;trihydrate?
The IUPAC name of 2,2-dimethylpropane;trihydrate (CID 172866132) is 2,2-dimethylpropane;trihydrate.
What is the SMILES notation for 2,2-dimethylpropane;trihydrate?
The canonical SMILES for 2,2-dimethylpropane;trihydrate is CC(C)(C)C.O.O.O.
What is the InChIKey of 2,2-dimethylpropane;trihydrate?
The InChIKey is NYXMVRMLUOAKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.3H2O/c1-5(2,3)4;;;/h1-4H3;3*1H2.
What are the key properties of 2,2-dimethylpropane;trihydrate?
2,2-dimethylpropane;trihydrate has a molecular weight of 126.20 g/mol, XLogP of -0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;trihydrate is sourced from PubChem (CID 172866132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).