2-methylpropan-2-ol;propan-2-ol

C7H18O2 — CID 19876545

IUPAC2-methylpropan-2-ol;propan-2-ol
SMILESCC(C)(C)O.CC(C)O
InChIInChI=1S/C4H10O.C3H8O/c1-4(2,3)5;1-3(2)4/h5H,1-3H3;3-4H,1-2H3
InChIKeyZPRPOWRPPXIVBL-UHFFFAOYSA-N
MW134.22 g/mol
LogP1.16
Rot. Bonds

About 2-methylpropan-2-ol;propan-2-ol

2-methylpropan-2-ol;propan-2-ol (PubChem CID 19876545) has the molecular formula C7H18O2 and a molecular weight of 134.22 g/mol. Its IUPAC name is 2-methylpropan-2-ol;propan-2-ol.

Molecular Properties

Compound Name2-methylpropan-2-ol;propan-2-ol
PubChem CID19876545
Molecular FormulaC7H18O2
Molecular Weight134.22 g/mol
Exact Mass134.13
IUPAC Name2-methylpropan-2-ol;propan-2-ol
SMILESCC(C)(C)O.CC(C)O
InChIInChI=1S/C4H10O.C3H8O/c1-4(2,3)5;1-3(2)4/h5H,1-3H3;3-4H,1-2H3
InChIKeyZPRPOWRPPXIVBL-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-ol;propan-2-ol?
The IUPAC name of 2-methylpropan-2-ol;propan-2-ol (CID 19876545) is 2-methylpropan-2-ol;propan-2-ol.
What is the SMILES notation for 2-methylpropan-2-ol;propan-2-ol?
The canonical SMILES for 2-methylpropan-2-ol;propan-2-ol is CC(C)(C)O.CC(C)O.
What is the InChIKey of 2-methylpropan-2-ol;propan-2-ol?
The InChIKey is ZPRPOWRPPXIVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H8O/c1-4(2,3)5;1-3(2)4/h5H,1-3H3;3-4H,1-2H3.
What are the key properties of 2-methylpropan-2-ol;propan-2-ol?
2-methylpropan-2-ol;propan-2-ol has a molecular weight of 134.22 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-ol;propan-2-ol is sourced from PubChem (CID 19876545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).