(Z)-1-(dimethoxymethoxy)octadec-9-ene

C21H42O3 — CID 118195402

IUPAC(Z)-1-(dimethoxymethoxy)octadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCOC(OC)OC
InChIInChI=1S/C21H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(22-2)23-3/h11-12,21H,4-10,13-20H2,1-3H3/b12-11-
InChIKeyYMQJSTKZZDRIQC-QXMHVHEDSA-N
MW342.56 g/mol
LogP6.62
Rot. Bonds19

About (Z)-1-(dimethoxymethoxy)octadec-9-ene

(Z)-1-(dimethoxymethoxy)octadec-9-ene (PubChem CID 118195402) has the molecular formula C21H42O3 and a molecular weight of 342.56 g/mol. Its IUPAC name is (Z)-1-(dimethoxymethoxy)octadec-9-ene.

Molecular Properties

Compound Name(Z)-1-(dimethoxymethoxy)octadec-9-ene
PubChem CID118195402
Molecular FormulaC21H42O3
Molecular Weight342.56 g/mol
Exact Mass342.31
IUPAC Name(Z)-1-(dimethoxymethoxy)octadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCOC(OC)OC
InChIInChI=1S/C21H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(22-2)23-3/h11-12,21H,4-10,13-20H2,1-3H3/b12-11-
InChIKeyYMQJSTKZZDRIQC-QXMHVHEDSA-N
XLogP6.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z)-1-(dimethoxymethoxy)octadec-9-ene?
The IUPAC name of (Z)-1-(dimethoxymethoxy)octadec-9-ene (CID 118195402) is (Z)-1-(dimethoxymethoxy)octadec-9-ene.
What is the SMILES notation for (Z)-1-(dimethoxymethoxy)octadec-9-ene?
The canonical SMILES for (Z)-1-(dimethoxymethoxy)octadec-9-ene is CCCCCCCC/C=C\CCCCCCCCOC(OC)OC.
What is the InChIKey of (Z)-1-(dimethoxymethoxy)octadec-9-ene?
The InChIKey is YMQJSTKZZDRIQC-QXMHVHEDSA-N. The full InChI is InChI=1S/C21H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(22-2)23-3/h11-12,21H,4-10,13-20H2,1-3H3/b12-11-.
What are the key properties of (Z)-1-(dimethoxymethoxy)octadec-9-ene?
(Z)-1-(dimethoxymethoxy)octadec-9-ene has a molecular weight of 342.56 g/mol, XLogP of 6.62, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(dimethoxymethoxy)octadec-9-ene is sourced from PubChem (CID 118195402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).