2-methyl-3-pyridin-2-yldecan-3-ol

C16H27NO — CID 21415641

IUPAC2-methyl-3-pyridin-2-yldecan-3-ol
SMILESCCCCCCCC(O)(c1ccccn1)C(C)C
InChIInChI=1S/C16H27NO/c1-4-5-6-7-9-12-16(18,14(2)3)15-11-8-10-13-17-15/h8,10-11,13-14,18H,4-7,9,12H2,1-3H3
InChIKeyMIWCTTMQTABVHB-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.29
Rot. Bonds8

About 2-methyl-3-pyridin-2-yldecan-3-ol

2-methyl-3-pyridin-2-yldecan-3-ol (PubChem CID 21415641) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-3-pyridin-2-yldecan-3-ol.

Molecular Properties

Compound Name2-methyl-3-pyridin-2-yldecan-3-ol
PubChem CID21415641
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-3-pyridin-2-yldecan-3-ol
SMILESCCCCCCCC(O)(c1ccccn1)C(C)C
InChIInChI=1S/C16H27NO/c1-4-5-6-7-9-12-16(18,14(2)3)15-11-8-10-13-17-15/h8,10-11,13-14,18H,4-7,9,12H2,1-3H3
InChIKeyMIWCTTMQTABVHB-UHFFFAOYSA-N
XLogP4.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-pyridin-2-ylundecan-6-ol
CID 21415651
ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol
CID 142343342
(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol
CID 162467836
3-pyridin-2-yl-2-pyridin-2-ylsulfanyl-3-sulfanylundecanoic acid
CID 89263847
1-pyridin-2-ylpropane-1,1-diol
CID 18373059
2-(1,1-difluoro-2-methylpropyl)pyridine
CID 116841481
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
5-methyl-3-pyridin-2-ylhexan-3-ol
CID 146396813
2-undecylpyridine
CID 66882765
(2S,3S)-2-(4-methoxyphenyl)-3-pyridin-2-ylpentan-3-ol
CID 125488147
2-(3-chloro-2-methylpentan-3-yl)pyridine
CID 146396918
2-hexadecylpyridine;hydrate
CID 141211108

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyridin-2-yldecan-3-ol?
The IUPAC name of 2-methyl-3-pyridin-2-yldecan-3-ol (CID 21415641) is 2-methyl-3-pyridin-2-yldecan-3-ol.
What is the SMILES notation for 2-methyl-3-pyridin-2-yldecan-3-ol?
The canonical SMILES for 2-methyl-3-pyridin-2-yldecan-3-ol is CCCCCCCC(O)(c1ccccn1)C(C)C.
What is the InChIKey of 2-methyl-3-pyridin-2-yldecan-3-ol?
The InChIKey is MIWCTTMQTABVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-5-6-7-9-12-16(18,14(2)3)15-11-8-10-13-17-15/h8,10-11,13-14,18H,4-7,9,12H2,1-3H3.
What are the key properties of 2-methyl-3-pyridin-2-yldecan-3-ol?
2-methyl-3-pyridin-2-yldecan-3-ol has a molecular weight of 249.40 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyridin-2-yldecan-3-ol is sourced from PubChem (CID 21415641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).