[(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium

C10H22NO2+ — CID 59446170

IUPAC[(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium
SMILESCC1OC(C)(C)[C@@H](O)C1[N+](C)(C)C
InChIInChI=1S/C10H22NO2/c1-7-8(11(4,5)6)9(12)10(2,3)13-7/h7-9,12H,1-6H3/q+1/t7?,8?,9-/m0/s1
InChIKeyLXYSQNUNRVWZQS-HACHORDNSA-N
MW188.29 g/mol
LogP0.62
Rot. Bonds1

About [(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium

[(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium (PubChem CID 59446170) has the molecular formula C10H22NO2+ and a molecular weight of 188.29 g/mol. Its IUPAC name is [(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium.

Molecular Properties

Compound Name[(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium
PubChem CID59446170
Molecular FormulaC10H22NO2+
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name[(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium
SMILESCC1OC(C)(C)[C@@H](O)C1[N+](C)(C)C
InChIInChI=1S/C10H22NO2/c1-7-8(11(4,5)6)9(12)10(2,3)13-7/h7-9,12H,1-6H3/q+1/t7?,8?,9-/m0/s1
InChIKeyLXYSQNUNRVWZQS-HACHORDNSA-N
XLogP0.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium?
The IUPAC name of [(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium (CID 59446170) is [(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium.
What is the SMILES notation for [(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium?
The canonical SMILES for [(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium is CC1OC(C)(C)[C@@H](O)C1[N+](C)(C)C.
What is the InChIKey of [(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium?
The InChIKey is LXYSQNUNRVWZQS-HACHORDNSA-N. The full InChI is InChI=1S/C10H22NO2/c1-7-8(11(4,5)6)9(12)10(2,3)13-7/h7-9,12H,1-6H3/q+1/t7?,8?,9-/m0/s1.
What are the key properties of [(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium?
[(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium has a molecular weight of 188.29 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-hydroxy-2,5,5-trimethyloxolan-3-yl]-trimethylazanium is sourced from PubChem (CID 59446170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).