(2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane

C17H30O2 — CID 6450274

IUPAC(2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane
SMILESC/C=C/C=C/CCCCCCCO[C@@H]1CCCCO1
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h2-5,17H,6-16H2,1H3/b3-2+,5-4+/t17-/m0/s1
InChIKeyPDBJRNWOKYKKQY-YWFLOKTBSA-N
MW266.42 g/mol
LogP5.00
Rot. Bonds10

About (2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane

(2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane (PubChem CID 6450274) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane.

Molecular Properties

Compound Name(2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane
PubChem CID6450274
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane
SMILESC/C=C/C=C/CCCCCCCO[C@@H]1CCCCO1
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h2-5,17H,6-16H2,1H3/b3-2+,5-4+/t17-/m0/s1
InChIKeyPDBJRNWOKYKKQY-YWFLOKTBSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(9E)-dodeca-9,11-dienoxy]oxane
CID 10934423
7-(oxan-2-yloxy)hept-2-enal
CID 54196488
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
2-[(E)-11-iodoundec-10-enoxy]oxane
CID 11280429
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
2-[(E)-dec-3-enoxy]oxane
CID 15649194
(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
CID 71244577
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[(E)-5-iodopent-4-enoxy]oxane
CID 11140994
2-[(3Z,5E)-nona-3,5-dienoxy]oxane
CID 177457132

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane?
The IUPAC name of (2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane (CID 6450274) is (2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane.
What is the SMILES notation for (2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane?
The canonical SMILES for (2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane is C/C=C/C=C/CCCCCCCO[C@@H]1CCCCO1.
What is the InChIKey of (2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane?
The InChIKey is PDBJRNWOKYKKQY-YWFLOKTBSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h2-5,17H,6-16H2,1H3/b3-2+,5-4+/t17-/m0/s1.
What are the key properties of (2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane?
(2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane has a molecular weight of 266.42 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane is sourced from PubChem (CID 6450274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).