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

C11H22O2 — CID 6366523

IUPAC(E)-7-methoxy-5,7-dimethyloct-2-en-1-ol
SMILESCOC(C)(C)CC(C)C/C=C/CO
InChIInChI=1S/C11H22O2/c1-10(7-5-6-8-12)9-11(2,3)13-4/h5-6,10,12H,7-9H2,1-4H3/b6-5+
InChIKeyLLIKEAZZEOIJPW-AATRIKPKSA-N
MW186.29 g/mol
LogP2.38
Rot. Bonds6

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

(E)-7-methoxy-5,7-dimethyloct-2-en-1-ol (PubChem CID 6366523) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (E)-7-methoxy-5,7-dimethyloct-2-en-1-ol.

Molecular Properties

Compound Name(E)-7-methoxy-5,7-dimethyloct-2-en-1-ol
PubChem CID6366523
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(E)-7-methoxy-5,7-dimethyloct-2-en-1-ol
SMILESCOC(C)(C)CC(C)C/C=C/CO
InChIInChI=1S/C11H22O2/c1-10(7-5-6-8-12)9-11(2,3)13-4/h5-6,10,12H,7-9H2,1-4H3/b6-5+
InChIKeyLLIKEAZZEOIJPW-AATRIKPKSA-N
XLogP2.38
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 ≤ 52.38
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-Hydroxylinalool
CID 5280678
Npc213918
CID 5352452
(2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol
CID 11206026
(1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol
CID 163028462
(Z)-2,6-dimethyloct-2-ene-1,8-diol
CID 77134639
CID 188028
CID 188028
3,7-Dimethyloct-5-ene-1,7-diol
CID 54416293
2,6-Dimethyloct-2-ene-1,8-diol
CID 71357715
(3S,5E)-3,7-Dimethyl-5-octene-1,7-diol
CID 10035064
(1R,3R,4Z,6S,8S,10Z,13Z)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol
CID 101340301
(2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
CID 162879935
(2Z,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
CID 162879936

Frequently Asked Questions

What is the IUPAC name of (E)-7-methoxy-5,7-dimethyloct-2-en-1-ol?
The IUPAC name of (E)-7-methoxy-5,7-dimethyloct-2-en-1-ol (CID 6366523) is (E)-7-methoxy-5,7-dimethyloct-2-en-1-ol.
What is the SMILES notation for (E)-7-methoxy-5,7-dimethyloct-2-en-1-ol?
The canonical SMILES for (E)-7-methoxy-5,7-dimethyloct-2-en-1-ol is COC(C)(C)CC(C)C/C=C/CO.
What is the InChIKey of (E)-7-methoxy-5,7-dimethyloct-2-en-1-ol?
The InChIKey is LLIKEAZZEOIJPW-AATRIKPKSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(7-5-6-8-12)9-11(2,3)13-4/h5-6,10,12H,7-9H2,1-4H3/b6-5+.
What are the key properties of (E)-7-methoxy-5,7-dimethyloct-2-en-1-ol?
(E)-7-methoxy-5,7-dimethyloct-2-en-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methoxy-5,7-dimethyloct-2-en-1-ol is sourced from PubChem (CID 6366523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).