1-(methoxymethoxy)dodeca-3,5-diene

C14H26O2 — CID 76697510

IUPAC1-(methoxymethoxy)dodeca-3,5-diene
SMILESCCCCCCC=CC=CCCOCOC
InChIInChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15-2/h8-11H,3-7,12-14H2,1-2H3
InChIKeyIRRDTIJTSRKIFJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.08
Rot. Bonds11

About 1-(methoxymethoxy)dodeca-3,5-diene

1-(methoxymethoxy)dodeca-3,5-diene (PubChem CID 76697510) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(methoxymethoxy)dodeca-3,5-diene.

Molecular Properties

Compound Name1-(methoxymethoxy)dodeca-3,5-diene
PubChem CID76697510
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-(methoxymethoxy)dodeca-3,5-diene
SMILESCCCCCCC=CC=CCCOCOC
InChIInChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15-2/h8-11H,3-7,12-14H2,1-2H3
InChIKeyIRRDTIJTSRKIFJ-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.08
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene
CID 164728509
1-(nonoxymethoxy)dodeca-5,7-diene
CID 166757657
(5E,7Z)-1-(nonoxymethoxy)dodeca-5,7-diene
CID 162392663
(E)-11-chloro-1-(methoxymethoxy)undec-3-ene
CID 163205102
(22E)-heptatetraconta-22,24-diene
CID 56629131
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
14-iodo-1-(pentoxymethoxy)tetradec-3-ene
CID 163205149
10-iodo-1-(octoxymethoxy)dec-3-ene
CID 163205018
1-(decoxymethoxy)-12-iodododec-3-ene
CID 172551606
(6E)-octadeca-4,6-diene
CID 173243345
1-(methoxymethoxy)hexadec-1-ene
CID 175225374

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)dodeca-3,5-diene?
The IUPAC name of 1-(methoxymethoxy)dodeca-3,5-diene (CID 76697510) is 1-(methoxymethoxy)dodeca-3,5-diene.
What is the SMILES notation for 1-(methoxymethoxy)dodeca-3,5-diene?
The canonical SMILES for 1-(methoxymethoxy)dodeca-3,5-diene is CCCCCCC=CC=CCCOCOC.
What is the InChIKey of 1-(methoxymethoxy)dodeca-3,5-diene?
The InChIKey is IRRDTIJTSRKIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15-2/h8-11H,3-7,12-14H2,1-2H3.
What are the key properties of 1-(methoxymethoxy)dodeca-3,5-diene?
1-(methoxymethoxy)dodeca-3,5-diene has a molecular weight of 226.36 g/mol, XLogP of 4.08, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)dodeca-3,5-diene is sourced from PubChem (CID 76697510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).