1-(nonoxymethoxy)dodeca-5,7-diene

C22H42O2 — CID 166757657

IUPAC1-(nonoxymethoxy)dodeca-5,7-diene
SMILESCCCCC=CC=CCCCCOCOCCCCCCCCC
InChIInChI=1S/C22H42O2/c1-3-5-7-9-11-12-13-15-17-19-21-24-22-23-20-18-16-14-10-8-6-4-2/h9,11-13H,3-8,10,14-22H2,1-2H3
InChIKeyQCQZDOVYGWRMKP-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.20
Rot. Bonds19

About 1-(nonoxymethoxy)dodeca-5,7-diene

1-(nonoxymethoxy)dodeca-5,7-diene (PubChem CID 166757657) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 1-(nonoxymethoxy)dodeca-5,7-diene.

Molecular Properties

Compound Name1-(nonoxymethoxy)dodeca-5,7-diene
PubChem CID166757657
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name1-(nonoxymethoxy)dodeca-5,7-diene
SMILESCCCCC=CC=CCCCCOCOCCCCCCCCC
InChIInChI=1S/C22H42O2/c1-3-5-7-9-11-12-13-15-17-19-21-24-22-23-20-18-16-14-10-8-6-4-2/h9,11-13H,3-8,10,14-22H2,1-2H3
InChIKeyQCQZDOVYGWRMKP-UHFFFAOYSA-N
XLogP7.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.20
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

(5E,7Z)-1-(nonoxymethoxy)dodeca-5,7-diene
CID 162392663
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
1-(methoxymethoxy)dodeca-3,5-diene
CID 76697510
(22E)-heptatetraconta-22,24-diene
CID 56629131
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
(Z)-1-butoxyheptadec-8-ene
CID 87205101
14-bromo-1-(nonoxymethoxy)tetradec-3-ene
CID 163204951
10-bromo-1-(pentoxymethoxy)dec-3-ene
CID 163204735
14-bromo-1-(decoxymethoxy)tetradec-3-ene
CID 163204993

Frequently Asked Questions

What is the IUPAC name of 1-(nonoxymethoxy)dodeca-5,7-diene?
The IUPAC name of 1-(nonoxymethoxy)dodeca-5,7-diene (CID 166757657) is 1-(nonoxymethoxy)dodeca-5,7-diene.
What is the SMILES notation for 1-(nonoxymethoxy)dodeca-5,7-diene?
The canonical SMILES for 1-(nonoxymethoxy)dodeca-5,7-diene is CCCCC=CC=CCCCCOCOCCCCCCCCC.
What is the InChIKey of 1-(nonoxymethoxy)dodeca-5,7-diene?
The InChIKey is QCQZDOVYGWRMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-3-5-7-9-11-12-13-15-17-19-21-24-22-23-20-18-16-14-10-8-6-4-2/h9,11-13H,3-8,10,14-22H2,1-2H3.
What are the key properties of 1-(nonoxymethoxy)dodeca-5,7-diene?
1-(nonoxymethoxy)dodeca-5,7-diene has a molecular weight of 338.58 g/mol, XLogP of 7.20, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(nonoxymethoxy)dodeca-5,7-diene is sourced from PubChem (CID 166757657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).