(E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol

C18H34O3 — CID 20765117

IUPAC(E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol
SMILESCCCC/C=C(\COC1CCCCO1)C(O)CCCCC
InChIInChI=1S/C18H34O3/c1-3-5-7-11-16(17(19)12-8-6-4-2)15-21-18-13-9-10-14-20-18/h11,17-19H,3-10,12-15H2,1-2H3/b16-11+
InChIKeyROHAEJXJOSMOSQ-LFIBNONCSA-N
MW298.47 g/mol
LogP4.59
Rot. Bonds11

About (E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol

(E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol (PubChem CID 20765117) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol.

Molecular Properties

Compound Name(E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol
PubChem CID20765117
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol
SMILESCCCC/C=C(\COC1CCCCO1)C(O)CCCCC
InChIInChI=1S/C18H34O3/c1-3-5-7-11-16(17(19)12-8-6-4-2)15-21-18-13-9-10-14-20-18/h11,17-19H,3-10,12-15H2,1-2H3/b16-11+
InChIKeyROHAEJXJOSMOSQ-LFIBNONCSA-N
XLogP4.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.59
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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Frequently Asked Questions

What is the IUPAC name of (E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol?
The IUPAC name of (E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol (CID 20765117) is (E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol.
What is the SMILES notation for (E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol?
The canonical SMILES for (E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol is CCCC/C=C(\COC1CCCCO1)C(O)CCCCC.
What is the InChIKey of (E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol?
The InChIKey is ROHAEJXJOSMOSQ-LFIBNONCSA-N. The full InChI is InChI=1S/C18H34O3/c1-3-5-7-11-16(17(19)12-8-6-4-2)15-21-18-13-9-10-14-20-18/h11,17-19H,3-10,12-15H2,1-2H3/b16-11+.
What are the key properties of (E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol?
(E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol has a molecular weight of 298.47 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-(oxan-2-yloxymethyl)dodec-7-en-6-ol is sourced from PubChem (CID 20765117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).