1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile

C10H17NO2 — CID 126999932

IUPAC1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile
SMILESCOC(C)(C)C(O)C1(C#N)CCC1
InChIInChI=1S/C10H17NO2/c1-9(2,13-3)8(12)10(7-11)5-4-6-10/h8,12H,4-6H2,1-3H3
InChIKeyRQHXHORGPKFNBD-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.47
Rot. Bonds3

About 1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile

1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile (PubChem CID 126999932) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile
PubChem CID126999932
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile
SMILESCOC(C)(C)C(O)C1(C#N)CCC1
InChIInChI=1S/C10H17NO2/c1-9(2,13-3)8(12)10(7-11)5-4-6-10/h8,12H,4-6H2,1-3H3
InChIKeyRQHXHORGPKFNBD-UHFFFAOYSA-N
XLogP1.47
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile (CID 126999932) is 1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile is COC(C)(C)C(O)C1(C#N)CCC1.
What is the InChIKey of 1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile?
The InChIKey is RQHXHORGPKFNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(2,13-3)8(12)10(7-11)5-4-6-10/h8,12H,4-6H2,1-3H3.
What are the key properties of 1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile?
1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile has a molecular weight of 183.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methoxy-2-methylpropyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 126999932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).