(E)-5-methoxy-4,7-dimethyloct-2-en-1-ol

C11H22O2 — CID 87273368

IUPAC(E)-5-methoxy-4,7-dimethyloct-2-en-1-ol
SMILESCOC(CC(C)C)C(C)/C=C/CO
InChIInChI=1S/C11H22O2/c1-9(2)8-11(13-4)10(3)6-5-7-12/h5-6,9-12H,7-8H2,1-4H3/b6-5+
InChIKeyQAEGHUNERQWYRD-AATRIKPKSA-N
MW186.29 g/mol
LogP2.23
Rot. Bonds6

About (E)-5-methoxy-4,7-dimethyloct-2-en-1-ol

(E)-5-methoxy-4,7-dimethyloct-2-en-1-ol (PubChem CID 87273368) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (E)-5-methoxy-4,7-dimethyloct-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-methoxy-4,7-dimethyloct-2-en-1-ol
PubChem CID87273368
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(E)-5-methoxy-4,7-dimethyloct-2-en-1-ol
SMILESCOC(CC(C)C)C(C)/C=C/CO
InChIInChI=1S/C11H22O2/c1-9(2)8-11(13-4)10(3)6-5-7-12/h5-6,9-12H,7-8H2,1-4H3/b6-5+
InChIKeyQAEGHUNERQWYRD-AATRIKPKSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.23
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 (E)-5-methoxy-4,7-dimethyloct-2-en-1-ol?
The IUPAC name of (E)-5-methoxy-4,7-dimethyloct-2-en-1-ol (CID 87273368) is (E)-5-methoxy-4,7-dimethyloct-2-en-1-ol.
What is the SMILES notation for (E)-5-methoxy-4,7-dimethyloct-2-en-1-ol?
The canonical SMILES for (E)-5-methoxy-4,7-dimethyloct-2-en-1-ol is COC(CC(C)C)C(C)/C=C/CO.
What is the InChIKey of (E)-5-methoxy-4,7-dimethyloct-2-en-1-ol?
The InChIKey is QAEGHUNERQWYRD-AATRIKPKSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2)8-11(13-4)10(3)6-5-7-12/h5-6,9-12H,7-8H2,1-4H3/b6-5+.
What are the key properties of (E)-5-methoxy-4,7-dimethyloct-2-en-1-ol?
(E)-5-methoxy-4,7-dimethyloct-2-en-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-4,7-dimethyloct-2-en-1-ol is sourced from PubChem (CID 87273368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).