5-methoxy-3-methylnon-3-en-1-ol

C11H22O2 — CID 91036217

IUPAC5-methoxy-3-methylnon-3-en-1-ol
SMILESCCCCC(C=C(C)CCO)OC
InChIInChI=1S/C11H22O2/c1-4-5-6-11(13-3)9-10(2)7-8-12/h9,11-12H,4-8H2,1-3H3
InChIKeyCOLOGAVBKQQMGR-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.52
Rot. Bonds7

About 5-methoxy-3-methylnon-3-en-1-ol

5-methoxy-3-methylnon-3-en-1-ol (PubChem CID 91036217) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-methoxy-3-methylnon-3-en-1-ol.

Molecular Properties

Compound Name5-methoxy-3-methylnon-3-en-1-ol
PubChem CID91036217
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-methoxy-3-methylnon-3-en-1-ol
SMILESCCCCC(C=C(C)CCO)OC
InChIInChI=1S/C11H22O2/c1-4-5-6-11(13-3)9-10(2)7-8-12/h9,11-12H,4-8H2,1-3H3
InChIKeyCOLOGAVBKQQMGR-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene
CID 176571098
(E)-1,1-dimethoxy-3-methylhept-2-ene
CID 13244487
(E)-5-methoxy-3-methyloct-3-enal
CID 87291411
(E)-5-methoxy-3-methylhept-3-ene
CID 59875254
(E)-5-methoxy-3-methylnon-2-en-1-ol
CID 87272629
(2E,4E,6E)-8-methoxydodeca-2,4,6-trienal
CID 15755836
2-methoxyhexan-1-ol
CID 12754599
3-methoxynon-1-ene
CID 12563924
3-methyldec-3-en-1-ol
CID 78409313
(E)-3-methyldec-3-en-1-ol
CID 6428571
(E)-3-hydroperoxy-5-methyloct-4-ene
CID 15041468
3,7-dimethylocta-3,6-diene-1,5-diol
CID 174979405

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methylnon-3-en-1-ol?
The IUPAC name of 5-methoxy-3-methylnon-3-en-1-ol (CID 91036217) is 5-methoxy-3-methylnon-3-en-1-ol.
What is the SMILES notation for 5-methoxy-3-methylnon-3-en-1-ol?
The canonical SMILES for 5-methoxy-3-methylnon-3-en-1-ol is CCCCC(C=C(C)CCO)OC.
What is the InChIKey of 5-methoxy-3-methylnon-3-en-1-ol?
The InChIKey is COLOGAVBKQQMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-5-6-11(13-3)9-10(2)7-8-12/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 5-methoxy-3-methylnon-3-en-1-ol?
5-methoxy-3-methylnon-3-en-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methylnon-3-en-1-ol is sourced from PubChem (CID 91036217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).