[6-(2-methylhexan-2-yl)-2-pyridinyl]methanol

C13H21NO — CID 135272807

IUPAC[6-(2-methylhexan-2-yl)-2-pyridinyl]methanol
SMILESCCCCC(C)(C)c1cccc(CO)n1
InChIInChI=1S/C13H21NO/c1-4-5-9-13(2,3)12-8-6-7-11(10-15)14-12/h6-8,15H,4-5,9-10H2,1-3H3
InChIKeyPNPOFIFJNCRCMN-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.04
Rot. Bonds5

About [6-(2-methylhexan-2-yl)-2-pyridinyl]methanol

[6-(2-methylhexan-2-yl)-2-pyridinyl]methanol (PubChem CID 135272807) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [6-(2-methylhexan-2-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2-methylhexan-2-yl)-2-pyridinyl]methanol
PubChem CID135272807
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[6-(2-methylhexan-2-yl)-2-pyridinyl]methanol
SMILESCCCCC(C)(C)c1cccc(CO)n1
InChIInChI=1S/C13H21NO/c1-4-5-9-13(2,3)12-8-6-7-11(10-15)14-12/h6-8,15H,4-5,9-10H2,1-3H3
InChIKeyPNPOFIFJNCRCMN-UHFFFAOYSA-N
XLogP3.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(2-methylhexan-2-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-(2-methylhexan-2-yl)-2-pyridinyl]methanol (CID 135272807) is [6-(2-methylhexan-2-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(2-methylhexan-2-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(2-methylhexan-2-yl)-2-pyridinyl]methanol is CCCCC(C)(C)c1cccc(CO)n1.
What is the InChIKey of [6-(2-methylhexan-2-yl)-2-pyridinyl]methanol?
The InChIKey is PNPOFIFJNCRCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-9-13(2,3)12-8-6-7-11(10-15)14-12/h6-8,15H,4-5,9-10H2,1-3H3.
What are the key properties of [6-(2-methylhexan-2-yl)-2-pyridinyl]methanol?
[6-(2-methylhexan-2-yl)-2-pyridinyl]methanol has a molecular weight of 207.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylhexan-2-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 135272807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).