(9R,10R)-10-ethenyl-9-methoxynonadecane

C22H44O — CID 102492829

IUPAC(9R,10R)-10-ethenyl-9-methoxynonadecane
SMILESC=C[C@@H](CCCCCCCCC)[C@@H](CCCCCCCC)OC
InChIInChI=1S/C22H44O/c1-5-8-10-12-14-15-17-19-21(7-3)22(23-4)20-18-16-13-11-9-6-2/h7,21-22H,3,5-6,8-20H2,1-2,4H3/t21-,22+/m0/s1
InChIKeyFHWJXPKJQJWWPU-FCHUYYIVSA-N
MW324.59 g/mol
LogP7.69
Rot. Bonds18

About (9R,10R)-10-ethenyl-9-methoxynonadecane

(9R,10R)-10-ethenyl-9-methoxynonadecane (PubChem CID 102492829) has the molecular formula C22H44O and a molecular weight of 324.59 g/mol. Its IUPAC name is (9R,10R)-10-ethenyl-9-methoxynonadecane.

Molecular Properties

Compound Name(9R,10R)-10-ethenyl-9-methoxynonadecane
PubChem CID102492829
Molecular FormulaC22H44O
Molecular Weight324.59 g/mol
Exact Mass324.34
IUPAC Name(9R,10R)-10-ethenyl-9-methoxynonadecane
SMILESC=C[C@@H](CCCCCCCCC)[C@@H](CCCCCCCC)OC
InChIInChI=1S/C22H44O/c1-5-8-10-12-14-15-17-19-21(7-3)22(23-4)20-18-16-13-11-9-6-2/h7,21-22H,3,5-6,8-20H2,1-2,4H3/t21-,22+/m0/s1
InChIKeyFHWJXPKJQJWWPU-FCHUYYIVSA-N
XLogP7.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3,4-dimethoxypentadecane
CID 174316150
3-methoxynon-1-ene
CID 12563924
10-ethenyl-11-(2-fluoroethyl)icosane
CID 57074959
2-methoxynonane-1,1-diol
CID 175114695
(4R,5S)-5-iodo-4-methoxytridec-1-ene
CID 102090844
1-[(1S,2R)-2-ethenyl-1-methoxyundecyl]-4-methoxybenzene
CID 122225849
2-ethoxy-3-methoxynonane
CID 175129428
3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene
CID 22465178
2-dodec-1-en-3-ylpropanedioic acid
CID 59411846
3-ethenylnon-1-ene
CID 123641938
10-ethenylnonadecane
CID 57244946
3-methoxy-10-octoxydec-1-ene
CID 141054986

Frequently Asked Questions

What is the IUPAC name of (9R,10R)-10-ethenyl-9-methoxynonadecane?
The IUPAC name of (9R,10R)-10-ethenyl-9-methoxynonadecane (CID 102492829) is (9R,10R)-10-ethenyl-9-methoxynonadecane.
What is the SMILES notation for (9R,10R)-10-ethenyl-9-methoxynonadecane?
The canonical SMILES for (9R,10R)-10-ethenyl-9-methoxynonadecane is C=C[C@@H](CCCCCCCCC)[C@@H](CCCCCCCC)OC.
What is the InChIKey of (9R,10R)-10-ethenyl-9-methoxynonadecane?
The InChIKey is FHWJXPKJQJWWPU-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H44O/c1-5-8-10-12-14-15-17-19-21(7-3)22(23-4)20-18-16-13-11-9-6-2/h7,21-22H,3,5-6,8-20H2,1-2,4H3/t21-,22+/m0/s1.
What are the key properties of (9R,10R)-10-ethenyl-9-methoxynonadecane?
(9R,10R)-10-ethenyl-9-methoxynonadecane has a molecular weight of 324.59 g/mol, XLogP of 7.69, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10R)-10-ethenyl-9-methoxynonadecane is sourced from PubChem (CID 102492829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).