10-iodo-1-(octoxymethoxy)dec-3-ene

C19H37IO2 — CID 163205018

IUPAC10-iodo-1-(octoxymethoxy)dec-3-ene
SMILESCCCCCCCCOCOCCC=CCCCCCCI
InChIInChI=1S/C19H37IO2/c1-2-3-4-5-11-14-17-21-19-22-18-15-12-9-7-6-8-10-13-16-20/h9,12H,2-8,10-11,13-19H2,1H3
InChIKeyNBKSDSLKLQRPQD-UHFFFAOYSA-N
MW424.41 g/mol
LogP6.67
Rot. Bonds18

About 10-iodo-1-(octoxymethoxy)dec-3-ene

10-iodo-1-(octoxymethoxy)dec-3-ene (PubChem CID 163205018) has the molecular formula C19H37IO2 and a molecular weight of 424.41 g/mol. Its IUPAC name is 10-iodo-1-(octoxymethoxy)dec-3-ene.

Molecular Properties

Compound Name10-iodo-1-(octoxymethoxy)dec-3-ene
PubChem CID163205018
Molecular FormulaC19H37IO2
Molecular Weight424.41 g/mol
Exact Mass424.18
IUPAC Name10-iodo-1-(octoxymethoxy)dec-3-ene
SMILESCCCCCCCCOCOCCC=CCCCCCCI
InChIInChI=1S/C19H37IO2/c1-2-3-4-5-11-14-17-21-19-22-18-15-12-9-7-6-8-10-13-16-20/h9,12H,2-8,10-11,13-19H2,1H3
InChIKeyNBKSDSLKLQRPQD-UHFFFAOYSA-N
XLogP6.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.41
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

14-iodo-1-(pentoxymethoxy)tetradec-3-ene
CID 163205149
1-(decoxymethoxy)-12-iodododec-3-ene
CID 172551606
1-(ethoxymethoxy)-13-iodotridec-3-ene
CID 163205082
14-bromo-1-(decoxymethoxy)tetradec-3-ene
CID 163204993
12-bromo-1-(heptoxymethoxy)dodec-3-ene
CID 172551604
14-bromo-1-(nonoxymethoxy)tetradec-3-ene
CID 163204951
10-bromo-1-(pentoxymethoxy)dec-3-ene
CID 163204735
10-bromo-1-(hexoxymethoxy)dec-3-ene
CID 163204779
(E)-1-iodoheptadec-8-ene
CID 118861241
1-iodooctadec-9-ene
CID 54335448
1-[[(E)-6-bromohex-3-enoxy]methoxy]decane
CID 163205155
1-(nonoxymethoxy)dodeca-5,7-diene
CID 166757657

Frequently Asked Questions

What is the IUPAC name of 10-iodo-1-(octoxymethoxy)dec-3-ene?
The IUPAC name of 10-iodo-1-(octoxymethoxy)dec-3-ene (CID 163205018) is 10-iodo-1-(octoxymethoxy)dec-3-ene.
What is the SMILES notation for 10-iodo-1-(octoxymethoxy)dec-3-ene?
The canonical SMILES for 10-iodo-1-(octoxymethoxy)dec-3-ene is CCCCCCCCOCOCCC=CCCCCCCI.
What is the InChIKey of 10-iodo-1-(octoxymethoxy)dec-3-ene?
The InChIKey is NBKSDSLKLQRPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37IO2/c1-2-3-4-5-11-14-17-21-19-22-18-15-12-9-7-6-8-10-13-16-20/h9,12H,2-8,10-11,13-19H2,1H3.
What are the key properties of 10-iodo-1-(octoxymethoxy)dec-3-ene?
10-iodo-1-(octoxymethoxy)dec-3-ene has a molecular weight of 424.41 g/mol, XLogP of 6.67, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iodo-1-(octoxymethoxy)dec-3-ene is sourced from PubChem (CID 163205018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).