(6Z,9Z)-17-methoxyheptadeca-6,9-diene

C18H34O — CID 134896330

IUPAC(6Z,9Z)-17-methoxyheptadeca-6,9-diene
SMILESCCCCC/C=C\C/C=C\CCCCCCCOC
InChIInChI=1S/C18H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
InChIKeyZHCAXORZNSMGFY-NQLNTKRDSA-N
MW266.47 g/mol
LogP6.06
Rot. Bonds14

About (6Z,9Z)-17-methoxyheptadeca-6,9-diene

(6Z,9Z)-17-methoxyheptadeca-6,9-diene (PubChem CID 134896330) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is (6Z,9Z)-17-methoxyheptadeca-6,9-diene.

Molecular Properties

Compound Name(6Z,9Z)-17-methoxyheptadeca-6,9-diene
PubChem CID134896330
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name(6Z,9Z)-17-methoxyheptadeca-6,9-diene
SMILESCCCCC/C=C\C/C=C\CCCCCCCOC
InChIInChI=1S/C18H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
InChIKeyZHCAXORZNSMGFY-NQLNTKRDSA-N
XLogP6.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z,9Z)-17-methoxyheptadeca-6,9-diene?
The IUPAC name of (6Z,9Z)-17-methoxyheptadeca-6,9-diene (CID 134896330) is (6Z,9Z)-17-methoxyheptadeca-6,9-diene.
What is the SMILES notation for (6Z,9Z)-17-methoxyheptadeca-6,9-diene?
The canonical SMILES for (6Z,9Z)-17-methoxyheptadeca-6,9-diene is CCCCC/C=C\C/C=C\CCCCCCCOC.
What is the InChIKey of (6Z,9Z)-17-methoxyheptadeca-6,9-diene?
The InChIKey is ZHCAXORZNSMGFY-NQLNTKRDSA-N. The full InChI is InChI=1S/C18H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-.
What are the key properties of (6Z,9Z)-17-methoxyheptadeca-6,9-diene?
(6Z,9Z)-17-methoxyheptadeca-6,9-diene has a molecular weight of 266.47 g/mol, XLogP of 6.06, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z)-17-methoxyheptadeca-6,9-diene is sourced from PubChem (CID 134896330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).