2-methylpropan-2-(17O)ol

C4H10O — CID 13000133

IUPAC2-methylpropan-2-(17O)ol
SMILESCC(C)(C)[17OH]
InChIInChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i5+1
InChIKeyDKGAVHZHDRPRBM-HOSYLAQJSA-N
MW75.12 g/mol
LogP0.78
Rot. Bonds

About 2-methylpropan-2-(17O)ol

2-methylpropan-2-(17O)ol (PubChem CID 13000133) has the molecular formula C4H10O and a molecular weight of 75.12 g/mol. Its IUPAC name is 2-methylpropan-2-(17O)ol.

Molecular Properties

Compound Name2-methylpropan-2-(17O)ol
PubChem CID13000133
Molecular FormulaC4H10O
Molecular Weight75.12 g/mol
Exact Mass75.08
IUPAC Name2-methylpropan-2-(17O)ol
SMILESCC(C)(C)[17OH]
InChIInChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i5+1
InChIKeyDKGAVHZHDRPRBM-HOSYLAQJSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.12
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-(17O)ol?
The IUPAC name of 2-methylpropan-2-(17O)ol (CID 13000133) is 2-methylpropan-2-(17O)ol.
What is the SMILES notation for 2-methylpropan-2-(17O)ol?
The canonical SMILES for 2-methylpropan-2-(17O)ol is CC(C)(C)[17OH].
What is the InChIKey of 2-methylpropan-2-(17O)ol?
The InChIKey is DKGAVHZHDRPRBM-HOSYLAQJSA-N. The full InChI is InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i5+1.
What are the key properties of 2-methylpropan-2-(17O)ol?
2-methylpropan-2-(17O)ol has a molecular weight of 75.12 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-(17O)ol is sourced from PubChem (CID 13000133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).