2-(10-bromotetradecoxy)oxane

C19H37BrO2 — CID 23365986

IUPAC2-(10-bromotetradecoxy)oxane
SMILESCCCCC(Br)CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C19H37BrO2/c1-2-3-13-18(20)14-9-7-5-4-6-8-11-16-21-19-15-10-12-17-22-19/h18-19H,2-17H2,1H3
InChIKeyRYFJEIWURUSQLG-UHFFFAOYSA-N
MW377.41 g/mol
LogP6.60
Rot. Bonds14

About 2-(10-bromotetradecoxy)oxane

2-(10-bromotetradecoxy)oxane (PubChem CID 23365986) has the molecular formula C19H37BrO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-(10-bromotetradecoxy)oxane.

Molecular Properties

Compound Name2-(10-bromotetradecoxy)oxane
PubChem CID23365986
Molecular FormulaC19H37BrO2
Molecular Weight377.41 g/mol
Exact Mass376.20
IUPAC Name2-(10-bromotetradecoxy)oxane
SMILESCCCCC(Br)CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C19H37BrO2/c1-2-3-13-18(20)14-9-7-5-4-6-8-11-16-21-19-15-10-12-17-22-19/h18-19H,2-17H2,1H3
InChIKeyRYFJEIWURUSQLG-UHFFFAOYSA-N
XLogP6.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 56.60
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'}

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Related Compounds

2-octacosoxyoxane
CID 11214102
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
2-(6-methylheptoxy)oxane
CID 139685112
2-[4-(oxan-2-yloxy)butyl]decanoic acid
CID 177221724
(5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol
CID 125494842
2-heptadec-13-ynoxyoxane
CID 11099777
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-hexadeca-6,12-diynoxyoxane
CID 163386043
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
2-(12-bromododecoxy)oxane
CID 11078592
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365

Frequently Asked Questions

What is the IUPAC name of 2-(10-bromotetradecoxy)oxane?
The IUPAC name of 2-(10-bromotetradecoxy)oxane (CID 23365986) is 2-(10-bromotetradecoxy)oxane.
What is the SMILES notation for 2-(10-bromotetradecoxy)oxane?
The canonical SMILES for 2-(10-bromotetradecoxy)oxane is CCCCC(Br)CCCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-(10-bromotetradecoxy)oxane?
The InChIKey is RYFJEIWURUSQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37BrO2/c1-2-3-13-18(20)14-9-7-5-4-6-8-11-16-21-19-15-10-12-17-22-19/h18-19H,2-17H2,1H3.
What are the key properties of 2-(10-bromotetradecoxy)oxane?
2-(10-bromotetradecoxy)oxane has a molecular weight of 377.41 g/mol, XLogP of 6.60, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-bromotetradecoxy)oxane is sourced from PubChem (CID 23365986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).