3-methylhexan-2-ol;pyridine

C12H21NO — CID 91616825

IUPAC3-methylhexan-2-ol;pyridine
SMILESCCCC(C)C(C)O.c1ccncc1
InChIInChI=1S/C7H16O.C5H5N/c1-4-5-6(2)7(3)8;1-2-4-6-5-3-1/h6-8H,4-5H2,1-3H3;1-5H
InChIKeyVDZQUSOKLIUKBM-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.88
Rot. Bonds3

About 3-methylhexan-2-ol;pyridine

3-methylhexan-2-ol;pyridine (PubChem CID 91616825) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-methylhexan-2-ol;pyridine.

Molecular Properties

Compound Name3-methylhexan-2-ol;pyridine
PubChem CID91616825
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-methylhexan-2-ol;pyridine
SMILESCCCC(C)C(C)O.c1ccncc1
InChIInChI=1S/C7H16O.C5H5N/c1-4-5-6(2)7(3)8;1-2-4-6-5-3-1/h6-8H,4-5H2,1-3H3;1-5H
InChIKeyVDZQUSOKLIUKBM-UHFFFAOYSA-N
XLogP2.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methylhexan-2-ol;pyridine?
The IUPAC name of 3-methylhexan-2-ol;pyridine (CID 91616825) is 3-methylhexan-2-ol;pyridine.
What is the SMILES notation for 3-methylhexan-2-ol;pyridine?
The canonical SMILES for 3-methylhexan-2-ol;pyridine is CCCC(C)C(C)O.c1ccncc1.
What is the InChIKey of 3-methylhexan-2-ol;pyridine?
The InChIKey is VDZQUSOKLIUKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C5H5N/c1-4-5-6(2)7(3)8;1-2-4-6-5-3-1/h6-8H,4-5H2,1-3H3;1-5H.
What are the key properties of 3-methylhexan-2-ol;pyridine?
3-methylhexan-2-ol;pyridine has a molecular weight of 195.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhexan-2-ol;pyridine is sourced from PubChem (CID 91616825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).