(12Z)-19-(methoxymethoxy)nonadeca-1,12-diene

C21H40O2 — CID 122401766

IUPAC(12Z)-19-(methoxymethoxy)nonadeca-1,12-diene
SMILESC=CCCCCCCCCC/C=C\CCCCCCOCOC
InChIInChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22-2/h3,13-14H,1,4-12,15-21H2,2H3/b14-13-
InChIKeyWIMBUIOUTOETGD-YPKPFQOOSA-N
MW324.55 g/mol
LogP6.81
Rot. Bonds19

About (12Z)-19-(methoxymethoxy)nonadeca-1,12-diene

(12Z)-19-(methoxymethoxy)nonadeca-1,12-diene (PubChem CID 122401766) has the molecular formula C21H40O2 and a molecular weight of 324.55 g/mol. Its IUPAC name is (12Z)-19-(methoxymethoxy)nonadeca-1,12-diene.

Molecular Properties

Compound Name(12Z)-19-(methoxymethoxy)nonadeca-1,12-diene
PubChem CID122401766
Molecular FormulaC21H40O2
Molecular Weight324.55 g/mol
Exact Mass324.30
IUPAC Name(12Z)-19-(methoxymethoxy)nonadeca-1,12-diene
SMILESC=CCCCCCCCCC/C=C\CCCCCCOCOC
InChIInChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22-2/h3,13-14H,1,4-12,15-21H2,2H3/b14-13-
InChIKeyWIMBUIOUTOETGD-YPKPFQOOSA-N
XLogP6.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 56.81
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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Frequently Asked Questions

What is the IUPAC name of (12Z)-19-(methoxymethoxy)nonadeca-1,12-diene?
The IUPAC name of (12Z)-19-(methoxymethoxy)nonadeca-1,12-diene (CID 122401766) is (12Z)-19-(methoxymethoxy)nonadeca-1,12-diene.
What is the SMILES notation for (12Z)-19-(methoxymethoxy)nonadeca-1,12-diene?
The canonical SMILES for (12Z)-19-(methoxymethoxy)nonadeca-1,12-diene is C=CCCCCCCCCC/C=C\CCCCCCOCOC.
What is the InChIKey of (12Z)-19-(methoxymethoxy)nonadeca-1,12-diene?
The InChIKey is WIMBUIOUTOETGD-YPKPFQOOSA-N. The full InChI is InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22-2/h3,13-14H,1,4-12,15-21H2,2H3/b14-13-.
What are the key properties of (12Z)-19-(methoxymethoxy)nonadeca-1,12-diene?
(12Z)-19-(methoxymethoxy)nonadeca-1,12-diene has a molecular weight of 324.55 g/mol, XLogP of 6.81, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z)-19-(methoxymethoxy)nonadeca-1,12-diene is sourced from PubChem (CID 122401766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).