methane;2-methylpropan-2-ol

C5H14O — CID 157161859

IUPACmethane;2-methylpropan-2-ol
SMILESC.CC(C)(C)O
InChIInChI=1S/C4H10O.CH4/c1-4(2,3)5;/h5H,1-3H3;1H4
InChIKeyAMLWGPRYEIKGOQ-UHFFFAOYSA-N
MW90.17 g/mol
LogP1.41
Rot. Bonds

About methane;2-methylpropan-2-ol

methane;2-methylpropan-2-ol (PubChem CID 157161859) has the molecular formula C5H14O and a molecular weight of 90.17 g/mol. Its IUPAC name is methane;2-methylpropan-2-ol.

Molecular Properties

Compound Namemethane;2-methylpropan-2-ol
PubChem CID157161859
Molecular FormulaC5H14O
Molecular Weight90.17 g/mol
Exact Mass90.10
IUPAC Namemethane;2-methylpropan-2-ol
SMILESC.CC(C)(C)O
InChIInChI=1S/C4H10O.CH4/c1-4(2,3)5;/h5H,1-3H3;1H4
InChIKeyAMLWGPRYEIKGOQ-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;2-methylpropan-2-ol?
The IUPAC name of methane;2-methylpropan-2-ol (CID 157161859) is methane;2-methylpropan-2-ol.
What is the SMILES notation for methane;2-methylpropan-2-ol?
The canonical SMILES for methane;2-methylpropan-2-ol is C.CC(C)(C)O.
What is the InChIKey of methane;2-methylpropan-2-ol?
The InChIKey is AMLWGPRYEIKGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.CH4/c1-4(2,3)5;/h5H,1-3H3;1H4.
What are the key properties of methane;2-methylpropan-2-ol?
methane;2-methylpropan-2-ol has a molecular weight of 90.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylpropan-2-ol is sourced from PubChem (CID 157161859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).