1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene

C12H22O2 — CID 3018010

IUPAC1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
SMILESCOCOCC=C(C)CCC=C(C)C
InChIInChI=1S/C12H22O2/c1-11(2)6-5-7-12(3)8-9-14-10-13-4/h6,8H,5,7,9-10H2,1-4H3
InChIKeySAKWOVITFRSKER-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.30
Rot. Bonds7

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

1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene (PubChem CID 3018010) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
PubChem CID3018010
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
SMILESCOCOCC=C(C)CCC=C(C)C
InChIInChI=1S/C12H22O2/c1-11(2)6-5-7-12(3)8-9-14-10-13-4/h6,8H,5,7,9-10H2,1-4H3
InChIKeySAKWOVITFRSKER-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
CID 173478394
(2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene
CID 10082427
(E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid
CID 11106098
(2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
CID 102264216
1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene
CID 54055377
2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetic acid
CID 12648855
tris(3,7-dimethylocta-2,6-dienoxy)methylsilane
CID 3017007
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] [(2E)-3,7-dimethylocta-2,6-dienyl] borate
CID 6436996
N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine
CID 54612409
1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
CID 72752481
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene?
The IUPAC name of 1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene (CID 3018010) is 1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for 1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene?
The canonical SMILES for 1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene is COCOCC=C(C)CCC=C(C)C.
What is the InChIKey of 1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene?
The InChIKey is SAKWOVITFRSKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2)6-5-7-12(3)8-9-14-10-13-4/h6,8H,5,7,9-10H2,1-4H3.
What are the key properties of 1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene?
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene has a molecular weight of 198.31 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 3018010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).