1-cyclopropyl-2-methylpropan-2-ol;hydrochloride

C7H15ClO — CID 67125178

IUPAC1-cyclopropyl-2-methylpropan-2-ol;hydrochloride
SMILESCC(C)(O)CC1CC1.Cl
InChIInChI=1S/C7H14O.ClH/c1-7(2,8)5-6-3-4-6;/h6,8H,3-5H2,1-2H3;1H
InChIKeySIIHODAEJGNCQV-UHFFFAOYSA-N
MW150.65 g/mol
LogP1.98
Rot. Bonds2

About 1-cyclopropyl-2-methylpropan-2-ol;hydrochloride

1-cyclopropyl-2-methylpropan-2-ol;hydrochloride (PubChem CID 67125178) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is 1-cyclopropyl-2-methylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-2-methylpropan-2-ol;hydrochloride
PubChem CID67125178
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Name1-cyclopropyl-2-methylpropan-2-ol;hydrochloride
SMILESCC(C)(O)CC1CC1.Cl
InChIInChI=1S/C7H14O.ClH/c1-7(2,8)5-6-3-4-6;/h6,8H,3-5H2,1-2H3;1H
InChIKeySIIHODAEJGNCQV-UHFFFAOYSA-N
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methylpropan-2-ol;hydrochloride?
The IUPAC name of 1-cyclopropyl-2-methylpropan-2-ol;hydrochloride (CID 67125178) is 1-cyclopropyl-2-methylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-2-methylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-cyclopropyl-2-methylpropan-2-ol;hydrochloride is CC(C)(O)CC1CC1.Cl.
What is the InChIKey of 1-cyclopropyl-2-methylpropan-2-ol;hydrochloride?
The InChIKey is SIIHODAEJGNCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.ClH/c1-7(2,8)5-6-3-4-6;/h6,8H,3-5H2,1-2H3;1H.
What are the key properties of 1-cyclopropyl-2-methylpropan-2-ol;hydrochloride?
1-cyclopropyl-2-methylpropan-2-ol;hydrochloride has a molecular weight of 150.65 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methylpropan-2-ol;hydrochloride is sourced from PubChem (CID 67125178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).