[(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium

C16H34NO+ — CID 59446157

IUPAC[(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium
SMILESCC1C(C)C(C)C(C)(C)[C@@H](O)C([N+](C)(C)C)C1C
InChIInChI=1S/C16H34NO/c1-10-11(2)13(4)16(5,6)15(18)14(12(10)3)17(7,8)9/h10-15,18H,1-9H3/q+1/t10?,11?,12?,13?,14?,15-/m0/s1
InChIKeyYHVPWQHDBVAHHH-FFSGTFEZSA-N
MW256.45 g/mol
LogP3.01
Rot. Bonds1

About [(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium

[(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium (PubChem CID 59446157) has the molecular formula C16H34NO+ and a molecular weight of 256.45 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium
PubChem CID59446157
Molecular FormulaC16H34NO+
Molecular Weight256.45 g/mol
Exact Mass256.26
IUPAC Name[(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium
SMILESCC1C(C)C(C)C(C)(C)[C@@H](O)C([N+](C)(C)C)C1C
InChIInChI=1S/C16H34NO/c1-10-11(2)13(4)16(5,6)15(18)14(12(10)3)17(7,8)9/h10-15,18H,1-9H3/q+1/t10?,11?,12?,13?,14?,15-/m0/s1
InChIKeyYHVPWQHDBVAHHH-FFSGTFEZSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium?
The IUPAC name of [(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium (CID 59446157) is [(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium.
What is the SMILES notation for [(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium?
The canonical SMILES for [(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium is CC1C(C)C(C)C(C)(C)[C@@H](O)C([N+](C)(C)C)C1C.
What is the InChIKey of [(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium?
The InChIKey is YHVPWQHDBVAHHH-FFSGTFEZSA-N. The full InChI is InChI=1S/C16H34NO/c1-10-11(2)13(4)16(5,6)15(18)14(12(10)3)17(7,8)9/h10-15,18H,1-9H3/q+1/t10?,11?,12?,13?,14?,15-/m0/s1.
What are the key properties of [(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium?
[(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium has a molecular weight of 256.45 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3,3,4,5,6,7-hexamethylcycloheptyl]-trimethylazanium is sourced from PubChem (CID 59446157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).