ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine

C13H23NO — CID 171625416

IUPACethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine
SMILESCC.COc1nc(C)cc(C)c1C(C)C
InChIInChI=1S/C11H17NO.C2H6/c1-7(2)10-8(3)6-9(4)12-11(10)13-5;1-2/h6-7H,1-5H3;1-2H3
InChIKeyBLSFIQRCNMARDS-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.86
Rot. Bonds2

About ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine

ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine (PubChem CID 171625416) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine
PubChem CID171625416
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine
SMILESCC.COc1nc(C)cc(C)c1C(C)C
InChIInChI=1S/C11H17NO.C2H6/c1-7(2)10-8(3)6-9(4)12-11(10)13-5;1-2/h6-7H,1-5H3;1-2H3
InChIKeyBLSFIQRCNMARDS-UHFFFAOYSA-N
XLogP3.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine
CID 130087803
3-isocyano-2-methoxy-4,6-dimethylpyridine
CID 140776700
6-methoxy-2,4-dimethyl-3-propan-2-ylpyridine
CID 89494847
(2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid
CID 86686389
2-methoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pyridin-3-amine
CID 43786326
ethane;2-methoxy-3-methyl-6-propan-2-ylpyridine
CID 170578383
1-methoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine
CID 43758417
(1R)-1-(2,4,6-trimethyl-3-pyridinyl)ethanol
CID 63365086
(1S)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 63750724
3-isocyano-2,4-dimethoxy-6-methylpyridine
CID 140752938
2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine
CID 170361066
ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine
CID 145374345

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine?
The IUPAC name of ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine (CID 171625416) is ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine.
What is the SMILES notation for ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine?
The canonical SMILES for ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine is CC.COc1nc(C)cc(C)c1C(C)C.
What is the InChIKey of ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine?
The InChIKey is BLSFIQRCNMARDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-7(2)10-8(3)6-9(4)12-11(10)13-5;1-2/h6-7H,1-5H3;1-2H3.
What are the key properties of ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine?
ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine has a molecular weight of 209.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine is sourced from PubChem (CID 171625416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).