3-propoxynonadec-1-ene

C22H44O — CID 87204997

IUPAC3-propoxynonadec-1-ene
SMILESC=CC(CCCCCCCCCCCCCCCC)OCCC
InChIInChI=1S/C22H44O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(6-3)23-21-5-2/h6,22H,3-5,7-21H2,1-2H3
InChIKeyQTYBIPMLJPTEIM-UHFFFAOYSA-N
MW324.59 g/mol
LogP7.84
Rot. Bonds19

About 3-propoxynonadec-1-ene

3-propoxynonadec-1-ene (PubChem CID 87204997) has the molecular formula C22H44O and a molecular weight of 324.59 g/mol. Its IUPAC name is 3-propoxynonadec-1-ene.

Molecular Properties

Compound Name3-propoxynonadec-1-ene
PubChem CID87204997
Molecular FormulaC22H44O
Molecular Weight324.59 g/mol
Exact Mass324.34
IUPAC Name3-propoxynonadec-1-ene
SMILESC=CC(CCCCCCCCCCCCCCCC)OCCC
InChIInChI=1S/C22H44O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(6-3)23-21-5-2/h6,22H,3-5,7-21H2,1-2H3
InChIKeyQTYBIPMLJPTEIM-UHFFFAOYSA-N
XLogP7.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 57.84
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-octa-1,7-dien-3-yloxyoctane
CID 139990053
3-methoxynon-1-ene
CID 12563924
2-dodec-1-en-3-yloxyethyl hydrogen sulfate
CID 87607745
3-oct-1-en-3-yloxyoct-1-ene
CID 21413587
3-methoxy-10-octoxydec-1-ene
CID 141054986
1-pent-1-en-3-yloxypentane
CID 88898435
(2-dodec-1-en-3-yloxy-1-phenylethyl)benzene
CID 172735190
undec-1-en-3-yl acetate
CID 3023472
1,1-bis(prop-2-enoxy)nonane
CID 123908723
3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol
CID 161465176
sodium henicos-1-en-3-yl sulfate
CID 87898302
3-ethenylnon-1-ene
CID 123641938

Frequently Asked Questions

What is the IUPAC name of 3-propoxynonadec-1-ene?
The IUPAC name of 3-propoxynonadec-1-ene (CID 87204997) is 3-propoxynonadec-1-ene.
What is the SMILES notation for 3-propoxynonadec-1-ene?
The canonical SMILES for 3-propoxynonadec-1-ene is C=CC(CCCCCCCCCCCCCCCC)OCCC.
What is the InChIKey of 3-propoxynonadec-1-ene?
The InChIKey is QTYBIPMLJPTEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(6-3)23-21-5-2/h6,22H,3-5,7-21H2,1-2H3.
What are the key properties of 3-propoxynonadec-1-ene?
3-propoxynonadec-1-ene has a molecular weight of 324.59 g/mol, XLogP of 7.84, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxynonadec-1-ene is sourced from PubChem (CID 87204997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).