(E)-6,6-dimethoxyhex-3-en-1-ol

C8H16O3 — CID 163205453

IUPAC(E)-6,6-dimethoxyhex-3-en-1-ol
SMILESCOC(C/C=C/CCO)OC
InChIInChI=1S/C8H16O3/c1-10-8(11-2)6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3/b4-3+
InChIKeyLIOFUPXLHCLNJM-ONEGZZNKSA-N
MW160.21 g/mol
LogP0.93
Rot. Bonds6

About (E)-6,6-dimethoxyhex-3-en-1-ol

(E)-6,6-dimethoxyhex-3-en-1-ol (PubChem CID 163205453) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (E)-6,6-dimethoxyhex-3-en-1-ol.

Molecular Properties

Compound Name(E)-6,6-dimethoxyhex-3-en-1-ol
PubChem CID163205453
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(E)-6,6-dimethoxyhex-3-en-1-ol
SMILESCOC(C/C=C/CCO)OC
InChIInChI=1S/C8H16O3/c1-10-8(11-2)6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3/b4-3+
InChIKeyLIOFUPXLHCLNJM-ONEGZZNKSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-6-chloro-1,1-dimethoxyhex-3-ene
CID 163205427
(E)-17,17-dimethoxyheptadec-3-en-1-ol
CID 163205461
(Z)-6,6-diheptoxyhex-3-en-1-ol
CID 163205871
5,5-dimethoxypent-2-enylphosphonic acid
CID 174637518
(7S)-6-methyloct-3-ene-1,7-diol
CID 90781345
(2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene
CID 102155570
(E)-1,1,8,8-tetramethoxyoct-4-ene
CID 15239126
methyl 5,5-dimethoxypent-2-enoate
CID 71373953
(Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol
CID 10891946
(E)-oct-5-ene-1,2,8-triol
CID 20554578
(E)-16,16-diethoxyhexadec-3-en-1-ol
CID 163205889
(Z)-8-methylnon-3-en-1-ol
CID 88790350

Frequently Asked Questions

What is the IUPAC name of (E)-6,6-dimethoxyhex-3-en-1-ol?
The IUPAC name of (E)-6,6-dimethoxyhex-3-en-1-ol (CID 163205453) is (E)-6,6-dimethoxyhex-3-en-1-ol.
What is the SMILES notation for (E)-6,6-dimethoxyhex-3-en-1-ol?
The canonical SMILES for (E)-6,6-dimethoxyhex-3-en-1-ol is COC(C/C=C/CCO)OC.
What is the InChIKey of (E)-6,6-dimethoxyhex-3-en-1-ol?
The InChIKey is LIOFUPXLHCLNJM-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H16O3/c1-10-8(11-2)6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3/b4-3+.
What are the key properties of (E)-6,6-dimethoxyhex-3-en-1-ol?
(E)-6,6-dimethoxyhex-3-en-1-ol has a molecular weight of 160.21 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6-dimethoxyhex-3-en-1-ol is sourced from PubChem (CID 163205453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).