(Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol

C14H28O3 — CID 140695311

IUPAC(Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol
SMILESCCOC(CC(C)CC/C=C(/C)CO)OCC
InChIInChI=1S/C14H28O3/c1-5-16-14(17-6-2)10-12(3)8-7-9-13(4)11-15/h9,12,14-15H,5-8,10-11H2,1-4H3/b13-9-
InChIKeyOUCORZWNAGKQFX-LCYFTJDESA-N
MW244.37 g/mol
LogP3.13
Rot. Bonds10

About (Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol

(Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol (PubChem CID 140695311) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is (Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol.

Molecular Properties

Compound Name(Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol
PubChem CID140695311
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name(Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol
SMILESCCOC(CC(C)CC/C=C(/C)CO)OCC
InChIInChI=1S/C14H28O3/c1-5-16-14(17-6-2)10-12(3)8-7-9-13(4)11-15/h9,12,14-15H,5-8,10-11H2,1-4H3/b13-9-
InChIKeyOUCORZWNAGKQFX-LCYFTJDESA-N
XLogP3.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.13
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)-2,6-dimethyloct-2-ene-1,8-diol;methane
CID 175717951
(6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene
CID 87863892
(6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene
CID 90238868
[(E)-8-hydroxy-3,7-dimethyloct-6-enyl] methanesulfonate
CID 11218919
(Z,3S)-3,7-dimethylnon-6-en-1-ol
CID 156871638
(7-hydroxy-6-methylhept-5-en-2-yl) acetate
CID 165356951
(E)-2,5-dimethylhept-2-en-1-ol
CID 88722720
3,7,10-trimethylundec-3-ene
CID 91082560
[(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate
CID 11043303
N-(3-ethoxybutyl)-3,7-dimethyloct-6-en-1-imine
CID 138518948
1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173348329
(E)-5-methoxy-2,7-dimethylnon-2-en-1-ol
CID 87272716

Frequently Asked Questions

What is the IUPAC name of (Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol?
The IUPAC name of (Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol (CID 140695311) is (Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol.
What is the SMILES notation for (Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol?
The canonical SMILES for (Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol is CCOC(CC(C)CC/C=C(/C)CO)OCC.
What is the InChIKey of (Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol?
The InChIKey is OUCORZWNAGKQFX-LCYFTJDESA-N. The full InChI is InChI=1S/C14H28O3/c1-5-16-14(17-6-2)10-12(3)8-7-9-13(4)11-15/h9,12,14-15H,5-8,10-11H2,1-4H3/b13-9-.
What are the key properties of (Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol?
(Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol has a molecular weight of 244.37 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol is sourced from PubChem (CID 140695311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).