2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid

C11H18ClNO5 — CID 90669000

IUPAC2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid
SMILESCc1cccnc1CCC(C)(C)O.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C11H17NO.ClHO4/c1-9-5-4-8-12-10(9)6-7-11(2,3)13;2-1(3,4)5/h4-5,8,13H,6-7H2,1-3H3;(H,2,3,4,5)
InChIKeyIVWVSWKHZNFEAP-UHFFFAOYSA-N
MW279.72 g/mol
LogP-2.03
Rot. Bonds3

About 2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid

2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid (PubChem CID 90669000) has the molecular formula C11H18ClNO5 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid.

Molecular Properties

Compound Name2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid
PubChem CID90669000
Molecular FormulaC11H18ClNO5
Molecular Weight279.72 g/mol
Exact Mass279.09
IUPAC Name2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid
SMILESCc1cccnc1CCC(C)(C)O.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C11H17NO.ClHO4/c1-9-5-4-8-12-10(9)6-7-11(2,3)13;2-1(3,4)5/h4-5,8,13H,6-7H2,1-3H3;(H,2,3,4,5)
InChIKeyIVWVSWKHZNFEAP-UHFFFAOYSA-N
XLogP-2.03
TPSA122.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 5-2.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid?
The IUPAC name of 2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid (CID 90669000) is 2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid.
What is the SMILES notation for 2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid?
The canonical SMILES for 2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid is Cc1cccnc1CCC(C)(C)O.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid?
The InChIKey is IVWVSWKHZNFEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClHO4/c1-9-5-4-8-12-10(9)6-7-11(2,3)13;2-1(3,4)5/h4-5,8,13H,6-7H2,1-3H3;(H,2,3,4,5).
What are the key properties of 2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid?
2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid has a molecular weight of 279.72 g/mol, XLogP of -2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methyl-2-pyridinyl)butan-2-ol;perchloric acid is sourced from PubChem (CID 90669000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).