1-octa-1,7-dien-3-yloxyoctane

C16H30O — CID 139990053

IUPAC1-octa-1,7-dien-3-yloxyoctane
SMILESC=CCCCC(C=C)OCCCCCCCC
InChIInChI=1S/C16H30O/c1-4-7-9-10-11-13-15-17-16(6-3)14-12-8-5-2/h5-6,16H,2-4,7-15H2,1H3
InChIKeyGRIVCFLFGPDJOA-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.27
Rot. Bonds13

About 1-octa-1,7-dien-3-yloxyoctane

1-octa-1,7-dien-3-yloxyoctane (PubChem CID 139990053) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-octa-1,7-dien-3-yloxyoctane.

Molecular Properties

Compound Name1-octa-1,7-dien-3-yloxyoctane
PubChem CID139990053
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-octa-1,7-dien-3-yloxyoctane
SMILESC=CCCCC(C=C)OCCCCCCCC
InChIInChI=1S/C16H30O/c1-4-7-9-10-11-13-15-17-16(6-3)14-12-8-5-2/h5-6,16H,2-4,7-15H2,1H3
InChIKeyGRIVCFLFGPDJOA-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.27
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

3-propoxynonadec-1-ene
CID 87204997
1-pent-1-en-3-yloxypentane
CID 88898435
3-methoxy-10-octoxydec-1-ene
CID 141054986
2-dodec-1-en-3-yloxyethyl hydrogen sulfate
CID 87607745
3-methoxynon-1-ene
CID 12563924
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
(2S)-2-hex-5-enoxypentadecane-1,3-diol
CID 87317307

Frequently Asked Questions

What is the IUPAC name of 1-octa-1,7-dien-3-yloxyoctane?
The IUPAC name of 1-octa-1,7-dien-3-yloxyoctane (CID 139990053) is 1-octa-1,7-dien-3-yloxyoctane.
What is the SMILES notation for 1-octa-1,7-dien-3-yloxyoctane?
The canonical SMILES for 1-octa-1,7-dien-3-yloxyoctane is C=CCCCC(C=C)OCCCCCCCC.
What is the InChIKey of 1-octa-1,7-dien-3-yloxyoctane?
The InChIKey is GRIVCFLFGPDJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-4-7-9-10-11-13-15-17-16(6-3)14-12-8-5-2/h5-6,16H,2-4,7-15H2,1H3.
What are the key properties of 1-octa-1,7-dien-3-yloxyoctane?
1-octa-1,7-dien-3-yloxyoctane has a molecular weight of 238.41 g/mol, XLogP of 5.27, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octa-1,7-dien-3-yloxyoctane is sourced from PubChem (CID 139990053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).