(6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol

C17H23NO2 — CID 3743674

IUPAC(6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
SMILESCC1=CC(C)C2(CO)COC(c3cccnc3)C1C2C
InChIInChI=1S/C17H23NO2/c1-11-7-12(2)17(9-19)10-20-16(15(11)13(17)3)14-5-4-6-18-8-14/h4-8,12-13,15-16,19H,9-10H2,1-3H3
InChIKeyZIVNUWICSJWDPM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.98
Rot. Bonds2

About (6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol

(6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol (PubChem CID 3743674) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol.

Molecular Properties

Compound Name(6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
PubChem CID3743674
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
SMILESCC1=CC(C)C2(CO)COC(c3cccnc3)C1C2C
InChIInChI=1S/C17H23NO2/c1-11-7-12(2)17(9-19)10-20-16(15(11)13(17)3)14-5-4-6-18-8-14/h4-8,12-13,15-16,19H,9-10H2,1-3H3
InChIKeyZIVNUWICSJWDPM-UHFFFAOYSA-N
XLogP2.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol with MolForge

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Related Compounds

Metyrapol
CID 161210
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-pyridin-3-ylphenyl)methoxy]pentyl]piperidine-3,4,5-triol
CID 118411079
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-pyridin-4-ylphenyl)methoxy]pentyl]piperidine-3,4,5-triol
CID 118719916
(2R,3R,4R,5S)-1-[5-[[4-(6-fluoro-3-pyridinyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 118719918
3-(Tetrahydro-2-furanyl)pyridine
CID 53908098
2-Methyl-1,2-di-pyridin-3-yl-1-methoxypropane
CID 44299128
2-Methyl-1-phenyl-2-pyridin-3-yl-propan-1-ol
CID 44299143
(Z)-6-{2-[2-(4-Fluoro-phenyl)-1,1-dimethyl-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid
CID 44374545
(Z)-6-[2-(1,1-Dimethyl-2-phenyl-ethyl)-4-pyridin-3-yl-[1,3]dioxan-5-yl]-hex-4-enoic acid
CID 44374560
(Z)-6-((4S,5R)-2,2-Dimethyl-4-pyridin-3-yl-[1,3]dioxan-5-yl)-hex-4-enoic acid
CID 9972369
3-(5-Ethyloxolan-2-yl)pyridine
CID 11816181
Tetrahydro-5-(3-pyridinyl)-2-furanol
CID 179630

Frequently Asked Questions

What is the IUPAC name of (6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The IUPAC name of (6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol (CID 3743674) is (6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol.
What is the SMILES notation for (6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The canonical SMILES for (6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol is CC1=CC(C)C2(CO)COC(c3cccnc3)C1C2C.
What is the InChIKey of (6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The InChIKey is ZIVNUWICSJWDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11-7-12(2)17(9-19)10-20-16(15(11)13(17)3)14-5-4-6-18-8-14/h4-8,12-13,15-16,19H,9-10H2,1-3H3.
What are the key properties of (6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
(6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol has a molecular weight of 273.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8,9-trimethyl-4-pyridin-3-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol is sourced from PubChem (CID 3743674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).