(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene

C12H22O2 — CID 5352435

IUPAC(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
SMILESCOC(/C=C(\C)CCC=C(C)C)OC
InChIInChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3/b11-9+
InChIKeyZSKAJFSSXURRGL-PKNBQFBNSA-N
MW198.31 g/mol
LogP3.30
Rot. Bonds6

About (2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene

(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene (PubChem CID 5352435) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
PubChem CID5352435
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
SMILESCOC(/C=C(\C)CCC=C(C)C)OC
InChIInChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3/b11-9+
InChIKeyZSKAJFSSXURRGL-PKNBQFBNSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
CID 140578450
[(2Z)-1-methoxy-3,7-dimethylocta-2,6-dienyl]-trimethylsilane
CID 100914712
1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol
CID 53435769
[(2E)-1-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 15212203
(2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene
CID 90239872
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
(6E)-8-ethyl-2,6-dimethyldeca-2,6-diene
CID 174724877
(E)-1,1-dimethoxy-3-methylhept-2-ene
CID 13244487
[(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene
CID 70357331
(2Z)-1,1-bis[(3S)-3,7-dimethyloct-6-enoxy]-3,7-dimethylocta-2,6-diene
CID 87864001
(6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene
CID 176571098
bicyclo[2.2.1]hept-2-ene;3,7-dimethyl-1,1-bis(methylperoxy)octa-2,6-diene
CID 174919120

Frequently Asked Questions

What is the IUPAC name of (2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene (CID 5352435) is (2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene is COC(/C=C(\C)CCC=C(C)C)OC.
What is the InChIKey of (2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene?
The InChIKey is ZSKAJFSSXURRGL-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3/b11-9+.
What are the key properties of (2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene?
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene has a molecular weight of 198.31 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 5352435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).