(6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol

C17H30O3 — CID 70506066

IUPAC(6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol
SMILESOCCCCC/C=C\C/C=C/CCOC1CCCCO1
InChIInChI=1S/C17H30O3/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h1-2,6,8,17-18H,3-5,7,9-16H2/b2-1-,8-6+
InChIKeyWJORXXVMJBRUAN-OTQGQYTMSA-N
MW282.42 g/mol
LogP3.97
Rot. Bonds11

About (6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol

(6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol (PubChem CID 70506066) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol.

Molecular Properties

Compound Name(6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol
PubChem CID70506066
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol
SMILESOCCCCC/C=C\C/C=C/CCOC1CCCCO1
InChIInChI=1S/C17H30O3/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h1-2,6,8,17-18H,3-5,7,9-16H2/b2-1-,8-6+
InChIKeyWJORXXVMJBRUAN-OTQGQYTMSA-N
XLogP3.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
2-[(E)-dec-3-enoxy]oxane
CID 15649194
2-[(4Z,7Z)-deca-4,7-dienoxy]oxane
CID 10966579
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
CID 70568383
(Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
CID 86737423
2-[(E)-11-iodoundec-10-enoxy]oxane
CID 11280429
ethyl 10-(oxan-2-yloxy)dec-7-enoate
CID 71375954
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
CID 71244577
2-[(9E)-dodeca-9,11-dienoxy]oxane
CID 10934423

Frequently Asked Questions

What is the IUPAC name of (6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol?
The IUPAC name of (6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol (CID 70506066) is (6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol.
What is the SMILES notation for (6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol?
The canonical SMILES for (6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol is OCCCCC/C=C\C/C=C/CCOC1CCCCO1.
What is the InChIKey of (6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol?
The InChIKey is WJORXXVMJBRUAN-OTQGQYTMSA-N. The full InChI is InChI=1S/C17H30O3/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h1-2,6,8,17-18H,3-5,7,9-16H2/b2-1-,8-6+.
What are the key properties of (6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol?
(6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol has a molecular weight of 282.42 g/mol, XLogP of 3.97, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol is sourced from PubChem (CID 70506066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).