(3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene

C20H38O2 — CID 164728509

IUPAC(3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene
SMILESCCCC/C=C/CCCCCCCC/C=C\CCOCOC
InChIInChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-21-2/h6-7,16-17H,3-5,8-15,18-20H2,1-2H3/b7-6+,17-16-
InChIKeyJVFWYZAOPCFGPQ-NGLZPYLXSA-N
MW310.52 g/mol
LogP6.42
Rot. Bonds17

About (3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene

(3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene (PubChem CID 164728509) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is (3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene.

Molecular Properties

Compound Name(3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene
PubChem CID164728509
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name(3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene
SMILESCCCC/C=C/CCCCCCCC/C=C\CCOCOC
InChIInChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-21-2/h6-7,16-17H,3-5,8-15,18-20H2,1-2H3/b7-6+,17-16-
InChIKeyJVFWYZAOPCFGPQ-NGLZPYLXSA-N
XLogP6.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.42
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

1-(methoxymethoxy)dodeca-3,5-diene
CID 76697510
(E)-11-chloro-1-(methoxymethoxy)undec-3-ene
CID 163205102
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
12-bromo-1-(heptoxymethoxy)dodec-3-ene
CID 172551604
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
10-bromo-1-(hexoxymethoxy)dec-3-ene
CID 163204779
(Z)-22-methoxydocos-9-ene
CID 139489496
(Z)-1-methoxynon-4-ene
CID 59123720

Frequently Asked Questions

What is the IUPAC name of (3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene?
The IUPAC name of (3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene (CID 164728509) is (3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene.
What is the SMILES notation for (3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene?
The canonical SMILES for (3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene is CCCC/C=C/CCCCCCCC/C=C\CCOCOC.
What is the InChIKey of (3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene?
The InChIKey is JVFWYZAOPCFGPQ-NGLZPYLXSA-N. The full InChI is InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-21-2/h6-7,16-17H,3-5,8-15,18-20H2,1-2H3/b7-6+,17-16-.
What are the key properties of (3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene?
(3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene has a molecular weight of 310.52 g/mol, XLogP of 6.42, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene is sourced from PubChem (CID 164728509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).