(E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol

C14H26O3 — CID 11064583

IUPAC(E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol
SMILESCCC(O)CC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C14H26O3/c1-3-13(15)8-7-12(2)9-11-17-14-6-4-5-10-16-14/h9,13-15H,3-8,10-11H2,1-2H3/b12-9+
InChIKeyZAZBSEMZJPBHEB-FMIVXFBMSA-N
MW242.36 g/mol
LogP3.03
Rot. Bonds7

About (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol

(E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol (PubChem CID 11064583) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol.

Molecular Properties

Compound Name(E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol
PubChem CID11064583
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol
SMILESCCC(O)CC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C14H26O3/c1-3-13(15)8-7-12(2)9-11-17-14-6-4-5-10-16-14/h9,13-15H,3-8,10-11H2,1-2H3/b12-9+
InChIKeyZAZBSEMZJPBHEB-FMIVXFBMSA-N
XLogP3.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol?
The IUPAC name of (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol (CID 11064583) is (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol.
What is the SMILES notation for (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol?
The canonical SMILES for (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol is CCC(O)CC/C(C)=C/COC1CCCCO1.
What is the InChIKey of (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol?
The InChIKey is ZAZBSEMZJPBHEB-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-13(15)8-7-12(2)9-11-17-14-6-4-5-10-16-14/h9,13-15H,3-8,10-11H2,1-2H3/b12-9+.
What are the key properties of (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol?
(E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol has a molecular weight of 242.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-ol is sourced from PubChem (CID 11064583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).