(2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol

C11H20O3 — CID 11446974

IUPAC(2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol
SMILESC=C[C@H](OC)[C@@H](O)[C@H](C)/C=C(/C)CO
InChIInChI=1S/C11H20O3/c1-5-10(14-4)11(13)9(3)6-8(2)7-12/h5-6,9-13H,1,7H2,2-4H3/b8-6-/t9-,10+,11+/m1/s1
InChIKeyZKZORBYLLZSORI-HRDVJQGESA-N
MW200.28 g/mol
LogP1.12
Rot. Bonds6

About (2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol

(2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol (PubChem CID 11446974) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol.

Molecular Properties

Compound Name(2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol
PubChem CID11446974
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol
SMILESC=C[C@H](OC)[C@@H](O)[C@H](C)/C=C(/C)CO
InChIInChI=1S/C11H20O3/c1-5-10(14-4)11(13)9(3)6-8(2)7-12/h5-6,9-13H,1,7H2,2-4H3/b8-6-/t9-,10+,11+/m1/s1
InChIKeyZKZORBYLLZSORI-HRDVJQGESA-N
XLogP1.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
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 (2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol?
The IUPAC name of (2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol (CID 11446974) is (2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol.
What is the SMILES notation for (2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol?
The canonical SMILES for (2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol is C=C[C@H](OC)[C@@H](O)[C@H](C)/C=C(/C)CO.
What is the InChIKey of (2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol?
The InChIKey is ZKZORBYLLZSORI-HRDVJQGESA-N. The full InChI is InChI=1S/C11H20O3/c1-5-10(14-4)11(13)9(3)6-8(2)7-12/h5-6,9-13H,1,7H2,2-4H3/b8-6-/t9-,10+,11+/m1/s1.
What are the key properties of (2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol?
(2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol has a molecular weight of 200.28 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4R,5S,6S)-6-methoxy-2,4-dimethylocta-2,7-diene-1,5-diol is sourced from PubChem (CID 11446974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).