(Z)-16,16-dimethoxyhexadec-5-ene

C18H36O2 — CID 6438014

IUPAC(Z)-16,16-dimethoxyhexadec-5-ene
SMILESCCCC/C=C\CCCCCCCCCC(OC)OC
InChIInChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19-2)20-3/h7-8,18H,4-6,9-17H2,1-3H3/b8-7-
InChIKeyXXWBNIXISPONOJ-FPLPWBNLSA-N
MW284.48 g/mol
LogP5.86
Rot. Bonds15

About (Z)-16,16-dimethoxyhexadec-5-ene

(Z)-16,16-dimethoxyhexadec-5-ene (PubChem CID 6438014) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is (Z)-16,16-dimethoxyhexadec-5-ene.

Molecular Properties

Compound Name(Z)-16,16-dimethoxyhexadec-5-ene
PubChem CID6438014
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name(Z)-16,16-dimethoxyhexadec-5-ene
SMILESCCCC/C=C\CCCCCCCCCC(OC)OC
InChIInChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19-2)20-3/h7-8,18H,4-6,9-17H2,1-3H3/b8-7-
InChIKeyXXWBNIXISPONOJ-FPLPWBNLSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.86
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 (Z)-16,16-dimethoxyhexadec-5-ene?
The IUPAC name of (Z)-16,16-dimethoxyhexadec-5-ene (CID 6438014) is (Z)-16,16-dimethoxyhexadec-5-ene.
What is the SMILES notation for (Z)-16,16-dimethoxyhexadec-5-ene?
The canonical SMILES for (Z)-16,16-dimethoxyhexadec-5-ene is CCCC/C=C\CCCCCCCCCC(OC)OC.
What is the InChIKey of (Z)-16,16-dimethoxyhexadec-5-ene?
The InChIKey is XXWBNIXISPONOJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19-2)20-3/h7-8,18H,4-6,9-17H2,1-3H3/b8-7-.
What are the key properties of (Z)-16,16-dimethoxyhexadec-5-ene?
(Z)-16,16-dimethoxyhexadec-5-ene has a molecular weight of 284.48 g/mol, XLogP of 5.86, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-16,16-dimethoxyhexadec-5-ene is sourced from PubChem (CID 6438014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).