(6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol

C11H20O2 — CID 88828795

IUPAC(6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol
SMILESC=CC(C)(O)CC/C=C(\C)COC
InChIInChI=1S/C11H20O2/c1-5-11(3,12)8-6-7-10(2)9-13-4/h5,7,12H,1,6,8-9H2,2-4H3/b10-7+
InChIKeyIIFILAIABRHAKK-JXMROGBWSA-N
MW184.28 g/mol
LogP2.30
Rot. Bonds6

About (6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol

(6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol (PubChem CID 88828795) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol.

Molecular Properties

Compound Name(6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol
PubChem CID88828795
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol
SMILESC=CC(C)(O)CC/C=C(\C)COC
InChIInChI=1S/C11H20O2/c1-5-11(3,12)8-6-7-10(2)9-13-4/h5,7,12H,1,6,8-9H2,2-4H3/b10-7+
InChIKeyIIFILAIABRHAKK-JXMROGBWSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol?
The IUPAC name of (6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol (CID 88828795) is (6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol.
What is the SMILES notation for (6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol?
The canonical SMILES for (6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol is C=CC(C)(O)CC/C=C(\C)COC.
What is the InChIKey of (6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol?
The InChIKey is IIFILAIABRHAKK-JXMROGBWSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-11(3,12)8-6-7-10(2)9-13-4/h5,7,12H,1,6,8-9H2,2-4H3/b10-7+.
What are the key properties of (6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol?
(6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol has a molecular weight of 184.28 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-methoxy-3,7-dimethylocta-1,6-dien-3-ol is sourced from PubChem (CID 88828795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).